Description of the Component
Component ID |
TCMH1721 |
Latin Name |
Panax ginseng |
English Name |
Ginseng |
Chinese Pinyin Name |
Ren Shen |
中文名 |
人参 |
TCM Properties |
Minor Warm,Sweet,Slightly Bitter |
TCM Meridians |
Lung,Spleen,Heart |
Therapeutic Class English |
For tonifying weakness |
Therapeutic Class Chinese |
补虚 |
Functions |
reinforce the vital energy, remedy collapse and restore the normal pulse, benefit the spleen and lung, promote the production of body fluid, and calm the nerves |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Jilin Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
GBVE1679-11 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF104 | Yu Quan Capsule | 玉泉胶囊 |
| TCMF1069 | Kang Er Xin Capsule | 康尔心胶囊 |
| TCMF111 | Yi Xin Shu Pills | 益心舒丸 |
| TCMF112 | Yi Xin Shu Tablets | 益心舒片 |
| TCMF113 | Yi Xin Shu Granules | 益心舒颗粒 |
| TCMF1249 | Tablet for Promoting Coronary Circulation | 活血通脉片 |
| TCMF130 | Qi Dong Yi Xin Granules | 芪冬颐心颗粒 |
| TCMF1319 | Fresh Ginger Heart Clearing Decoction | 生姜泻心汤 |
| TCMF1335 | Longevity Powder | 龟龄集 |
| TCMF1349 | Brain-Invigorating and Kidney-Tonifying Pill | 健脑补肾丸 |
Showing 1 to 10 of 586 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT102 | ACP1 | Low molecular weight phosphotyrosine protein phosphatase | Hydrolase | P24666 |
| TCMT103 | PTPRF | Receptor-type tyrosine-protein phosphatase F (LAR) | Hydrolase | P10586 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
Showing 1 to 10 of 183 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1092 | Fatty acid synthase |
| TCMT1093 | Enoyl-acyl-carrier protein reductase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1099 | Neuraminidase |
| TCMT1104 | Sortase |
| TCMT1107 | Protease |
| TCMT1108 | Integrase |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
Showing 1 to 10 of 56 entries
Ingredient Structrues
Ingredient ID: TCMC999
Formula: C10H20O2
Ingredient ID: TCMC999
| Common Name | Decanoic Acid |
| IUPAC Name | decanoic acid |
| Canonical SMILES | CCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) |
| Standard InCHIKey | GHVNFZFCNZKVNT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL107498]; PubChem [2969]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1469 | Flos mume | Mei Hua | 梅花 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
Showing 1 to 10 of 68 entries
Ingredient ID: TCMC995
Formula: C35H60O6
Ingredient ID: TCMC995
| Common Name | Daucosterol |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C |
| Standard InCHI | InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| Standard InCHIKey | NPJICTMALKLTFW-OFUAXYCQSA-N |
| External Identifiers | ChEMBL [CHEMBL506678]; PubChem [5742590]; |
| Reference of Component-Ingredient Pair | 16261518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
| TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
| TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
| TCMH1078 | Fructus gardeniae preparata | Jiao Shan Zhi | 焦山栀 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
Showing 1 to 10 of 223 entries
Ingredient ID: TCMC96
Formula: C6H10O7
Ingredient ID: TCMC96
| Common Name | (2S,3S,4R,5R)-3,4,5,6-Tetrahydroxyoxane-2-Carboxylic Acid |
| IUPAC Name | (2S,3S,4R,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
| Canonical SMILES | OC1O[C@H](C(=O)O)[C@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4+,6?/m1/s1 |
| Standard InCHIKey | AEMOLEFTQBMNLQ-PKKLWIBTSA-N |
| External Identifiers | ChEMBL [CHEMBL2068684]; PubChem [6602103]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH981 | Astragalus membranaceus | Huang Qi | 黄芪 |
| TCMH983 | Astragalus membranaceus | Huang Qi Gan Jin Gao | 黄芪干浸膏 |
| TCMH984 | Astragalus membranaceus | Huang Qi Jin Gao | 黄芪浸膏 |
| TCMH985 | Astragalus membranaceus | Huang Qi Ti Qu Ye | 黄芪提取液 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC923
Formula: C6H8O7
Ingredient ID: TCMC923
| Common Name | Citric Acid |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid |
| Canonical SMILES | OC(=O)C(CC(=O)O)(CC(=O)O)O |
| Standard InCHI | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| Standard InCHIKey | KRKNYBCHXYNGOX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1261]; PubChem [311]; |
| Reference of Component-Ingredient Pair | 27765674 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
Showing 1 to 10 of 66 entries
Ingredient ID: TCMC886
Formula: C18H38O
Ingredient ID: TCMC886
| Common Name | Cetostearyl Alcohol |
| IUPAC Name | octadecan-1-ol |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCO |
| Standard InCHI | InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3 |
| Standard InCHIKey | GLDOVTGHNKAZLK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL24640]; PubChem [8221]; |
| Reference of Component-Ingredient Pair | 22639192 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1139 | Radix euphorbiae pekinensis | Jing Da Ji | 京大戟 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC847
Formula: C9H8O4
Ingredient ID: TCMC847
| Common Name | Caffeic Acid |
| IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
| Standard InCHIKey | QAIPRVGONGVQAS-DUXPYHPUSA-N |
| External Identifiers | ChEMBL [CHEMBL145]; PubChem [689043]; |
| Reference of Component-Ingredient Pair | 25130191 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 177 entries
Ingredient ID: TCMC845
Formula: C15H24O
Ingredient ID: TCMC845
| Common Name | Butylated Hydroxytoluene |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| Canonical SMILES | Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 |
| Standard InCHIKey | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL146]; PubChem [31404]; |
| Reference of Component-Ingredient Pair | 24021950 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1331 | Rhaponticum uniflorum | Lou Lu | 漏芦 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC820
Formula: C15H16O2
Ingredient ID: TCMC820
| Common Name | Bisphenol A |
| IUPAC Name | 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol |
| Canonical SMILES | CC(c1ccc(cc1)O)(c1ccc(cc1)O)C |
| Standard InCHI | InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 |
| Standard InCHIKey | IISBACLAFKSPIT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL418971]; PubChem [6623]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC814
Formula: C22H42O4
Ingredient ID: TCMC814
| Common Name | Bis(2-Ethylhexyl) Hexanedioate |
| IUPAC Name | bis(2-ethylhexyl) hexanedioate |
| Canonical SMILES | CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC |
| Standard InCHI | InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3 |
| Standard InCHIKey | SAOKZLXYCUGLFA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1414950]; PubChem [7641]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC801
Formula: C29H50O
Ingredient ID: TCMC801
| Common Name | Beta-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-VJSFXXLFSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [222284]; |
| Reference of Component-Ingredient Pair | 24130033 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
Showing 1 to 10 of 331 entries
Ingredient ID: TCMC790
Formula: C23H28O7
Ingredient ID: TCMC790
| Common Name | Besigomsin |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2C[C@](C)(O)[C@@H](C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23-/m0/s1 |
| Standard InCHIKey | ZWRRJEICIPUPHZ-MYODQAERSA-N |
| External Identifiers | ChEMBL [CHEMBL403578]; PubChem [3001662]; |
| Reference of Component-Ingredient Pair | 21927855 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC766
Formula: C7H5NS
Ingredient ID: TCMC766
| Common Name | Benzo[D]Thiazole |
| IUPAC Name | 1,3-benzothiazole |
| Canonical SMILES | c1ccc2c(c1)scn2 |
| Standard InCHI | InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H |
| Standard InCHIKey | IOJUPLGTWVMSFF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL510309]; PubChem [7222]; |
| Reference of Component-Ingredient Pair | 22716293 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH865 | Carthamus tinctorius | Hong Hua | 红花 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC761
Formula: C7H6O
Ingredient ID: TCMC761
| Common Name | Benzaldehyde |
| IUPAC Name | benzaldehyde |
| Canonical SMILES | O=Cc1ccccc1 |
| Standard InCHI | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H |
| Standard InCHIKey | HUMNYLRZRPPJDN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15972]; PubChem [240]; |
| Reference of Component-Ingredient Pair | 23043335 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 105 entries
Ingredient ID: TCMC759
Formula: C22H44O2
Ingredient ID: TCMC759
| Common Name | Behenic Acid |
| IUPAC Name | docosanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24) |
| Standard InCHIKey | UKMSUNONTOPOIO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1173474]; PubChem [8215]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
Showing 1 to 10 of 51 entries
Ingredient ID: TCMC7344
Formula: C42H72O13
Ingredient ID: TCMC7344
| Common Name | 20(S)-Ginsenoside Rg3 |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17R)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@H]3[C@](CCC=C(C)C)(O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23-,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,39+,40-,41-,42+/m1/s1 |
| Standard InCHIKey | RWXIFXNRCLMQCD-TUDPXRNOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [124918762]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7343
Formula: C30H52O4
Ingredient ID: TCMC7343
| Common Name | Protopanaxatriol |
| IUPAC Name | (3S,5R,6S,8R,9R,10R,12R,13R,14R,17R)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol |
| Canonical SMILES | CC(=CCC[C@]([C@@H]1CC[C@@]2([C@@H]1[C@H](O)C[C@H]1[C@@]2(C)C[C@@H]([C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)O)C)(O)C)C |
| Standard InCHI | InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20-,21+,22-,23+,24+,25+,27-,28-,29-,30-/m1/s1 |
| Standard InCHIKey | SHCBCKBYTHZQGZ-ZVYFCUAASA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [124910507]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7341
Formula: C42H72O13
Ingredient ID: TCMC7341
| Common Name | Ginsenoside Rg2 |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17R)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@H]2[C@](CCC=C(C)C)(O)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1 |
| Standard InCHIKey | AGBCLJAHARWNLA-VPKRQXCNSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [124893126]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7309
Formula: C42H72O14
Ingredient ID: TCMC7309
| Common Name | Ginsenoside Ia |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)[C@@H](O)C[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)54-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(38(3,4)35(39)23(46)17-41(26,40)7)55-36-33(51)31(49)29(47)24(18-43)53-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,39+,40+,41+,42-/m0/s1 |
| Standard InCHIKey | AVTXSAWPGCSYFO-ZCHNTGFUSA-N |
| External Identifiers | ChEMBL [CHEMBL3357160]; PubChem [118721996]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7227
Formula: C56H92O25
Ingredient ID: TCMC7227
| Common Name | Malonylginsenoside Rc |
| IUPAC Name | 3-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3O[C@H]([C@@H]([C@H]3O)O)CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](COC(=O)CC(=O)[O-])[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C56H92O25/c1-24(2)10-9-14-56(8,81-50-46(72)42(68)40(66)30(78-50)23-74-48-44(70)38(64)28(21-58)75-48)25-11-16-55(7)36(25)26(59)18-32-53(5)15-13-33(52(3,4)31(53)12-17-54(32,55)6)79-51-47(43(69)37(63)27(20-57)76-51)80-49-45(71)41(67)39(65)29(77-49)22-73-35(62)19-34(60)61/h10,25-33,36-51,57-59,63-72H,9,11-23H2,1-8H3,(H,60,61)/p-1/t25-,26+,27+,28-,29+,30+,31-,32+,33-,36-,37+,38-,39+,40+,41-,42-,43-,44+,45+,46+,47+,48+,49-,50-,51-,53-,54+,55+,56-/m0/s1 |
| Standard InCHIKey | UOFHLCPZXZURFL-GPDZXBECSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [101835368]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7226
Formula: C57H94O26
Ingredient ID: TCMC7226
| Common Name | 6'-Malonylginsenoside Rd1 |
| IUPAC Name | 3-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](COC(=O)CC(=O)[O-])[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C57H94O26/c1-24(2)10-9-14-57(8,83-51-47(74)43(70)40(67)30(80-51)23-76-49-45(72)41(68)37(64)27(20-58)77-49)25-11-16-56(7)36(25)26(60)18-32-54(5)15-13-33(53(3,4)31(54)12-17-55(32,56)6)81-52-48(44(71)38(65)28(21-59)78-52)82-50-46(73)42(69)39(66)29(79-50)22-75-35(63)19-34(61)62/h10,25-33,36-52,58-60,64-74H,9,11-23H2,1-8H3,(H,61,62)/p-1/t25-,26+,27+,28+,29+,30+,31-,32+,33-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,49+,50-,51-,52-,54-,55+,56+,57-/m0/s1 |
| Standard InCHIKey | NTYAVUNEPXGZQJ-KXJMYDKTSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [101835367]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7208
Formula: C56H94O24
Ingredient ID: TCMC7208
| Common Name | Quinquenoside R1 |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C56H94O24/c1-24(2)11-10-15-56(9,80-50-46(71)42(67)39(64)31(77-50)23-73-48-44(69)40(65)36(61)28(20-57)74-48)26-12-17-55(8)35(26)27(60)19-33-53(6)16-14-34(52(4,5)32(53)13-18-54(33,55)7)78-51-47(43(68)37(62)29(21-58)75-51)79-49-45(70)41(66)38(63)30(76-49)22-72-25(3)59/h11,26-51,57-58,60-71H,10,12-23H2,1-9H3/t26-,27+,28+,29+,30+,31+,32-,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48+,49-,50-,51-,53-,54+,55+,56-/m0/s1 |
| Standard InCHIKey | SNHCPECPLQRJNL-GWNBYJSOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101679657]; |
| Reference of Component-Ingredient Pair | 25095375 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7199
Formula: C53H88O7
Ingredient ID: TCMC7199
| Common Name | Stigmasterol-3-(6-Linoleoyl)Glucopyranoside |
| IUPAC Name | [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4CC[C@@H]3[C@@H](/C=C/[C@H](C(C)C)CC)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C53H88O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h13-14,16-17,25-27,37-39,41-46,48-51,55-57H,8-12,15,18-24,28-36H2,1-7H3/b14-13-,17-16-,26-25+/t38-,39-,41+,42+,43-,44+,45+,46-,48-,49+,50-,51-,52+,53-/m1/s1 |
| Standard InCHIKey | JCMCKUKETNSEQC-BUKYUEEWSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101664449]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7198
Formula: C53H90O7
Ingredient ID: TCMC7198
| Common Name | Stigmasterol-3-(6-Oleoyl)Glucopyranoside |
| IUPAC Name | [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-octadec-9-enoate |
| Canonical SMILES | CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4CC[C@@H]3[C@@H](/C=C/[C@H](C(C)C)CC)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C53H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h16-17,25-27,37-39,41-46,48-51,55-57H,8-15,18-24,28-36H2,1-7H3/b17-16-,26-25+/t38-,39-,41+,42+,43-,44+,45+,46-,48-,49+,50-,51-,52+,53-/m1/s1 |
| Standard InCHIKey | QCQUFLUHCFYSFG-HTQKDBJGSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101664448]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7197
Formula: C53H92O7
Ingredient ID: TCMC7197
| Common Name | Stigmasterol-3-(6-Stearoyl)Glucopyranoside |
| IUPAC Name | [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl octadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4CC[C@@H]3[C@@H](/C=C/[C@H](C(C)C)CC)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C53H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h25-27,37-39,41-46,48-51,55-57H,8-24,28-36H2,1-7H3/b26-25+/t38-,39-,41+,42+,43-,44+,45+,46-,48-,49+,50-,51-,52+,53-/m1/s1 |
| Standard InCHIKey | QTIVSMODIJHIEC-HHPDADRASA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101664446]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7136
Formula: C15H24
Ingredient ID: TCMC7136
| Common Name | Β-Maaliene |
| IUPAC Name | (1aR,3aS,7bS)-1,1,3a,7-tetramethyl-2,3,4,5,6,7b-hexahydro-1aH-cyclopropa[a]naphthalene |
| Canonical SMILES | CC1=C2[C@H]3[C@H](C3(C)C)CC[C@@]2(CCC1)C |
| Standard InCHI | InChI=1S/C15H24/c1-10-6-5-8-15(4)9-7-11-13(12(10)15)14(11,2)3/h11,13H,5-9H2,1-4H3/t11-,13-,15+/m1/s1 |
| Standard InCHIKey | UPGLJTCDRBIZKP-KYOSRNDESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101596917]; |
| Reference of Component-Ingredient Pair | 25920286 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7115
Formula: C17H22O2
Ingredient ID: TCMC7115
| Common Name | Ginsenoyne E |
| IUPAC Name | 8-[(2S,3R)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-one |
| Canonical SMILES | CCCCCCC[C@H]1O[C@H]1CC#CC#CC(=O)C=C |
| Standard InCHI | InChI=1S/C17H22O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,16-17H,2-3,5-7,10,13-14H2,1H3/t16-,17+/m1/s1 |
| Standard InCHIKey | WIONCQLWGYLTME-SJORKVTESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101341426]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7072
Formula: C59H100O27
Ingredient ID: TCMC7072
| Common Name | Notoginsenoside R4 |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO[C@@H]4OC[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-53-48(76)43(71)40(68)31(83-53)23-79-51-46(74)42(70)39(67)30(82-51)22-78-50-45(73)36(64)27(63)21-77-50)25-11-16-58(7)35(25)26(62)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)84-54-49(44(72)38(66)29(20-61)81-54)85-52-47(75)41(69)37(65)28(19-60)80-52/h10,25-54,60-76H,9,11-23H2,1-8H3/t25-,26+,27+,28+,29+,30+,31+,32-,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,49+,50-,51+,52-,53-,54-,56-,57+,58+,59-/m0/s1 |
| Standard InCHIKey | IWDYQBDCEDNTDP-BHPIZNGBSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101105174]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7030
Formula: C59H100O27
Ingredient ID: TCMC7030
| Common Name | Ginsenoside Ra3 |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@]([C@H]3CC[C@@]4([C@@H]3[C@H](O)C[C@H]3[C@@]4(C)CC[C@@H]4[C@]3(C)CC[C@@H](C4(C)C)O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O)O)C)(CCC=C(C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-53-46(75)42(71)39(68)31(82-53)23-78-51-47(76)48(40(69)30(21-62)79-51)84-50-44(73)36(65)27(64)22-77-50)25-11-16-58(7)35(25)26(63)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)83-54-49(43(72)38(67)29(20-61)81-54)85-52-45(74)41(70)37(66)28(19-60)80-52/h10,25-54,60-76H,9,11-23H2,1-8H3/t25-,26+,27+,28+,29+,30+,31+,32-,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44+,45+,46+,47+,48-,49+,50-,51+,52-,53-,54-,56-,57+,58+,59-/m0/s1 |
| Standard InCHIKey | QUNSGRLNZDSQJC-SNJLJHFRSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [100941544]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7029
Formula: C58H98O26
Ingredient ID: TCMC7029
| Common Name | Ginsenoside Ra2 |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxolan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)OC[C@H]1O[C@@H](O[C@]([C@H]2CC[C@@]3([C@@H]2[C@H](O)C[C@H]2[C@@]3(C)CC[C@@H]3[C@]2(C)CC[C@@H](C3(C)C)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)C)(CCC=C(C)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-51-46(74)42(70)39(67)31(80-51)23-76-52-47(40(68)30(21-61)78-52)82-49-44(72)36(64)27(63)22-75-49)25-11-16-57(7)35(25)26(62)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-53-48(43(71)38(66)29(20-60)79-53)83-50-45(73)41(69)37(65)28(19-59)77-50/h10,25-53,59-74H,9,11-23H2,1-8H3/t25-,26+,27+,28+,29+,30-,31+,32-,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48+,49-,50-,51-,52+,53-,55-,56+,57+,58-/m0/s1 |
| Standard InCHIKey | UEBIBJSWHIZNCA-BGPUAMRSSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [100941543]; |
| Reference of Component-Ingredient Pair | 24380303 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7028
Formula: C58H98O26
Ingredient ID: TCMC7028
| Common Name | Ginsenoside Ra1 |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-52-47(74)42(69)39(66)30(81-52)22-76-49-45(72)40(67)31(23-77-49)80-50-44(71)36(63)27(62)21-75-50)25-11-16-57(7)35(25)26(61)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)82-53-48(43(70)38(65)29(20-60)79-53)83-51-46(73)41(68)37(64)28(19-59)78-51/h10,25-53,59-74H,9,11-23H2,1-8H3/t25-,26+,27+,28+,29+,30+,31-,32-,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,55-,56+,57+,58-/m0/s1 |
| Standard InCHIKey | KVMXBSSOCCPAOR-WWJNHZDPSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [100941542]; |
| Reference of Component-Ingredient Pair | 22534302 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7013
Formula: C17H24O2
Ingredient ID: TCMC7013
| Common Name | Panaxydol |
| IUPAC Name | (3R)-8-[(2S,3R)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-ol |
| Canonical SMILES | CCCCCCC[C@H]1O[C@H]1CC#CC#C[C@@H](C=C)O |
| Standard InCHI | InChI=1S/C17H24O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,15-18H,2-3,5-7,10,13-14H2,1H3/t15-,16-,17+/m1/s1 |
| Standard InCHIKey | GVLDSGIQZAFIAN-ZACQAIPSSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [95790149]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6986
Formula: C42H70O12
Ingredient ID: TCMC6986
| Common Name | Ginsenoside Ic |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2C(=C)CCC=C(C)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11,22-38,43-50H,3,10,12-19H2,1-2,4-9H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38+,40+,41+,42+/m0/s1 |
| Standard InCHIKey | ZVTVWDXRNMHGNY-JOGTXEPTSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [91895489]; |
| Reference of Component-Ingredient Pair | 25095371 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6968
Formula: C15H24
Ingredient ID: TCMC6968
| Common Name | Α-Panasinsene |
| IUPAC Name | (2aS,4aR,8aS)-2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene |
| Canonical SMILES | CC1=CCC[C@]2([C@]31CC([C@@H]3CC2)(C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h6,12H,5,7-10H2,1-4H3/t12-,14+,15-/m0/s1 |
| Standard InCHIKey | WHXUZXDWQKUIJL-CFVMTHIKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [91748736]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6881
Formula: C18H26O3
Ingredient ID: TCMC6881
| Common Name | 1-Methoxy-(9R,10S)-Epoxyheptadecan-4,6-Diyn-3-One |
| IUPAC Name | 8-[(2R,3S)-3-heptyloxiran-2-yl]-1-methoxyocta-4,6-diyn-3-one |
| Canonical SMILES | CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC(=O)CCOC |
| Standard InCHI | InChI=1S/C18H26O3/c1-3-4-5-6-9-12-17-18(21-17)13-10-7-8-11-16(19)14-15-20-2/h17-18H,3-6,9,12-15H2,1-2H3/t17-,18+/m0/s1 |
| Standard InCHIKey | ZBDTYWHJRWZCPN-ZWKOTPCHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [71367524]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6806
Formula: C53H94O7
Ingredient ID: TCMC6806
| Common Name | Β-Sitosterol-3-(6-Stearoyl)Glucopyranoside |
| IUPAC Name | [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl octadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4CC[C@@H]3[C@@H](CC[C@H](C(C)C)CC)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C53H94O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h27,37-39,41-46,48-51,55-57H,8-26,28-36H2,1-7H3/t38-,39-,41+,42+,43-,44+,45+,46-,48-,49+,50-,51-,52+,53-/m1/s1 |
| Standard InCHIKey | WHXVFRBDLSVIIH-RUCVJHJTSA-N |
| External Identifiers | ChEMBL [CHEMBL1643087]; PubChem [53326868]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6758
Formula: C47H80O17
Ingredient ID: TCMC6758
| Common Name | Chikusetsusaponin Iii |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@](CCC=C(C)C)(O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,58)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-42-39(64-41-38(57)35(54)33(52)26(19-48)61-41)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,44-,45+,46+,47-/m0/s1 |
| Standard InCHIKey | ZICDJKZDHVLVOD-HUGMCNGHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [46173930]; |
| Reference of Component-Ingredient Pair | 2717685 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC671
Formula: C10H16
Ingredient ID: TCMC671
| Common Name | Alpha-Pinene |
| IUPAC Name | 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene |
| Canonical SMILES | CC1=CCC2CC1C2(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 |
| Standard InCHIKey | GRWFGVWFFZKLTI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL442565]; PubChem [6654]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 101 entries
Ingredient ID: TCMC67
Formula: C4H9NO2Se
Ingredient ID: TCMC67
| Common Name | (2R)-2-Amino-3-Methylselanylpropanoic Acid |
| IUPAC Name | (2R)-2-amino-3-methylselanylpropanoic acid |
| Canonical SMILES | C[Se]C[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 |
| Standard InCHIKey | XDSSPSLGNGIIHP-VKHMYHEASA-N |
| External Identifiers | ChEMBL [CHEMBL62382]; PubChem [147004]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6688
Formula: C18H32O16
Ingredient ID: TCMC6688
| Common Name | Raffinose |
| IUPAC Name | (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17+,18+/m1/s1 |
| Standard InCHIKey | MUPFEKGTMRGPLJ-FWIJRCLISA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [44420456]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC668
Formula: C15H26O
Ingredient ID: TCMC668
| Common Name | Alpha-Bisabolol |
| IUPAC Name | (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol |
| Canonical SMILES | CC(=CCC[C@@]([C@H]1CCC(=CC1)C)(O)C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1 |
| Standard InCHIKey | RGZSQWQPBWRIAQ-CABCVRRESA-N |
| External Identifiers | ChEMBL [CHEMBL1096927]; PubChem [442343]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
Showing 1 to 10 of 38 entries
Ingredient ID: TCMC6602
Formula: C48H82O19
Ingredient ID: TCMC6602
| Common Name | 20-Glucosylginsenoside Rf |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)64-42)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-43-39(36(59)33(56)27(20-51)65-43)66-41-37(60)34(57)31(54)25(18-49)63-41/h10,22-43,49-61H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1 |
| Standard InCHIKey | FBFMBWCLBGQEBU-RXMALORBSA-N |
| External Identifiers | ChEMBL [CHEMBL525935]; PubChem [24721561]; |
| Reference of Component-Ingredient Pair | 23993604 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6573
Formula: C15H24
Ingredient ID: TCMC6573
| Common Name | Β-Panasinsene |
| IUPAC Name | (2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene |
| Canonical SMILES | C=C1CCC[C@]2([C@]31CC([C@@H]3CC2)(C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h12H,1,5-10H2,2-4H3/t12-,14+,15-/m0/s1 |
| Standard InCHIKey | LTMKWDWWHXRNMO-CFVMTHIKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [23242103]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6483
Formula: C42H72O14
Ingredient ID: TCMC6483
| Common Name | Pseudoginsenoside F11 |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@]2(C)CC[C@@H](O2)C(O)(C)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22-,23+,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35-,36+,39+,40+,41+,42-/m0/s1 |
| Standard InCHIKey | JBGYSAVRIDZNKA-NKECSCAMSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21633072]; |
| Reference of Component-Ingredient Pair | 21542292 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC648
Formula: C2H6O
Ingredient ID: TCMC648
| Common Name | Alcohol |
| IUPAC Name | ethanol |
| Canonical SMILES | CCO |
| Standard InCHI | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 |
| Standard InCHIKey | LFQSCWFLJHTTHZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL545]; PubChem [702]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2059 | Radix pseudostellariae | Tai Zi Shen | 太子参 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH382 | Allium sativum | Da Suan | 大蒜 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC6448
Formula: C36H62O9
Ingredient ID: TCMC6448
| Common Name | 20(R)-Ginsenoside Rh1 |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](CCC=C(C)C)(O)C)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36+/m0/s1 |
| Standard InCHIKey | RAQNTCRNSXYLAH-PQYWRUIPSA-N |
| External Identifiers | ChEMBL [CHEMBL3594353]; PubChem [21599923]; |
| Reference of Component-Ingredient Pair | 21598542 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6392
Formula: C15H24
Ingredient ID: TCMC6392
| Common Name | Ginsinsene |
| IUPAC Name | (1R,6R,9R)-4,9,11,11-tetramethyltricyclo[4.3.2.01,5]undec-4-ene |
| Canonical SMILES | CC1=C2[C@@H]3CC[C@H]([C@@]2(CC1)CC3(C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10-7-8-15-9-14(3,4)12(13(10)15)6-5-11(15)2/h11-12H,5-9H2,1-4H3/t11-,12+,15-/m1/s1 |
| Standard InCHIKey | ANMYKTVFNJJBPX-TYNCELHUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21574489]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6391
Formula: C15H24
Ingredient ID: TCMC6391
| Common Name | Panaginsene |
| IUPAC Name | (1S,8S,11R)-4,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-4-ene |
| Canonical SMILES | CC1=C2CC([C@H]3[C@]2(CC1)[C@H](C)CC3)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-13(15)14(3,4)9-12(10)15/h11,13H,5-9H2,1-4H3/t11-,13+,15-/m1/s1 |
| Standard InCHIKey | ZRXJARPSARBQCO-OSAQELSMSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21574488]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6390
Formula: C15H24
Ingredient ID: TCMC6390
| Common Name | Panaxene |
| IUPAC Name | (1R,2S,5S)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane |
| Canonical SMILES | C=C[C@]1(C)CC[C@@H]2[C@]1(CC2(C)C)C(=C)C |
| Standard InCHI | InChI=1S/C15H24/c1-7-14(6)9-8-12-13(4,5)10-15(12,14)11(2)3/h7,12H,1-2,8-10H2,3-6H3/t12-,14+,15-/m0/s1 |
| Standard InCHIKey | UAOBSVDFJSNTLJ-CFVMTHIKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21574487]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC632
Formula: C10H13N5O4
Ingredient ID: TCMC632
| Common Name | Adenosine |
| IUPAC Name | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N |
| Standard InCHI | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 |
| Standard InCHIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N |
| External Identifiers | ChEMBL [CHEMBL477]; PubChem [60961]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1177 | Ilex cornuta | Ju Gu Ye | 枸骨叶 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Showing 1 to 10 of 96 entries
Ingredient ID: TCMC631
Formula: C5H5N5
Ingredient ID: TCMC631
| Common Name | Adenine |
| IUPAC Name | 7H-purin-6-amine |
| Canonical SMILES | Nc1nc[nH]c2c1ncn2 |
| Standard InCHI | InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) |
| Standard InCHIKey | GFFGJBXGBJISGV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL226345]; PubChem [190]; |
| Reference of Component-Ingredient Pair | 24211769 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC6302
Formula: C15H24
Ingredient ID: TCMC6302
| Common Name | Α-Neoclovene |
| IUPAC Name | (1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene |
| Canonical SMILES | CC1=CCC[C@@]2([C@@]31CC[C@@H]2C(C3)(C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12-,14+,15+/m1/s1 |
| Standard InCHIKey | ZCJQJJWNFDNQGZ-SNPRPXQTSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [15973057]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6261
Formula: C15H24
Ingredient ID: TCMC6261
| Common Name | (1Ar,7R,7Ar,7Bs)-1,1,7,7A-Tetramethyl-1A,2,3,5,6,7,7A,7B-Octahydro-1H-Cyclopropa[A]Naphthalene,Calarene |
| IUPAC Name | (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene |
| Canonical SMILES | C[C@@H]1CCC=C2[C@@]1(C)[C@H]1[C@H](C1(C)C)CC2 |
| Standard InCHI | InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3/t10-,12-,13+,15+/m1/s1 |
| Standard InCHIKey | MBIPADCEHSKJDQ-PBOSXPJTSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [15560278]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6260
Formula: C15H24
Ingredient ID: TCMC6260
| Common Name | Α-Guriunene |
| IUPAC Name | (1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene |
| Canonical SMILES | C[C@@H]1CC[C@@H]2[C@H](C3=C(CC[C@H]13)C)C2(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1 |
| Standard InCHIKey | SPCXZDDGSGTVAW-XIDUGBJDSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [15560276]; |
| Reference of Component-Ingredient Pair | 24271813 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6136
Formula: C10H16N5O13P3
Ingredient ID: TCMC6136
| Common Name | Adenosine Triphosphate |
| IUPAC Name | [[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
| Canonical SMILES | O[C@H]1[C@H](COP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])O[C@@H]([C@H]1O)n1cnc2c1ncnc2N |
| Standard InCHI | InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m0/s1 |
| Standard InCHIKey | ZKHQWZAMYRWXGA-DEGSGYPDSA-J |
| External Identifiers | ChEMBL [N/A]; PubChem [14308007]; |
| Reference of Component-Ingredient Pair | 9345319 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6107
Formula: C56H92O25
Ingredient ID: TCMC6107
| Common Name | Malonylginsenoside Rb2 |
| IUPAC Name | 3-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](COC(=O)CC(=O)[O-])[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C56H92O25/c1-24(2)10-9-14-56(8,81-50-46(72)42(68)40(66)30(78-50)23-75-48-44(70)37(63)27(59)21-74-48)25-11-16-55(7)36(25)26(58)18-32-53(5)15-13-33(52(3,4)31(53)12-17-54(32,55)6)79-51-47(43(69)38(64)28(20-57)76-51)80-49-45(71)41(67)39(65)29(77-49)22-73-35(62)19-34(60)61/h10,25-33,36-51,57-59,63-72H,9,11-23H2,1-8H3,(H,60,61)/p-1/t25-,26+,27-,28+,29+,30+,31-,32+,33-,36-,37-,38+,39+,40+,41-,42-,43-,44+,45+,46+,47+,48-,49-,50-,51-,53-,54+,55+,56-/m0/s1 |
| Standard InCHIKey | FWCWPAUCBWOOGG-HCSCSRTKSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [14162969]; |
| Reference of Component-Ingredient Pair | 27746686 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6095
Formula: C53H90O7
Ingredient ID: TCMC6095
| Common Name | Β-Sitosterol-3-(6-Linoleoyl)Glucopyranoside |
| IUPAC Name | [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4CC[C@@H]3[C@@H](CC[C@H](C(C)C)CC)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C53H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h13-14,16-17,27,37-39,41-46,48-51,55-57H,8-12,15,18-26,28-36H2,1-7H3/b14-13-,17-16-/t38-,39-,41+,42+,43-,44+,45+,46-,48-,49+,50-,51-,52+,53-/m1/s1 |
| Standard InCHIKey | LGOFPEZSCRRDEE-SYSRHGIYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14101633]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6038
Formula: C15H24
Ingredient ID: TCMC6038
| Common Name | Bicyclogermacrene |
| IUPAC Name | (1S,2E,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene |
| Canonical SMILES | C/C/1=CCC/C(=C/[C@H]2[C@@H](CC1)C2(C)C)/C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13-,14+/m1/s1 |
| Standard InCHIKey | VPDZRSSKICPUEY-JEPMYXAXSA-N |
| External Identifiers | ChEMBL [CHEMBL509566]; PubChem [13894537]; |
| Reference of Component-Ingredient Pair | 20645733 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC602
Formula: C18H32O2
Ingredient ID: TCMC602
| Common Name | 9-Octadecynoic Acid |
| IUPAC Name | octadec-9-ynoic acid |
| Canonical SMILES | CCCCCCCCC#CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20) |
| Standard InCHIKey | RGTIBVZDHOMOKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL482804]; PubChem [68167]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC60
Formula: C10H16O
Ingredient ID: TCMC60
| Common Name | (2E,4E)-Deca-2,4-Dienal |
| IUPAC Name | (2E,4E)-deca-2,4-dienal |
| Canonical SMILES | CCCCC/C=C/C=C/C=O |
| Standard InCHI | InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+ |
| Standard InCHIKey | JZQKTMZYLHNFPL-BLHCBFLLSA-N |
| External Identifiers | ChEMBL [CHEMBL443949]; PubChem [5283349]; |
| Reference of Component-Ingredient Pair | 25622337 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
Showing 1 to 10 of 54 entries
Ingredient ID: TCMC5998
Formula: C51H88O7
Ingredient ID: TCMC5998
| Common Name | Stigmast-3-O-Β-D-Glucopyanosyl-6-Hexadecanoate |
| IUPAC Name | [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4CC[C@@H]3[C@@H](/C=C/[C@H](C(C)C)CC)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C51H88O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h23-25,35-37,39-44,46-49,53-55H,8-22,26-34H2,1-7H3/b24-23+/t36-,37-,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1 |
| Standard InCHIKey | SQDYRCMAEQXKCQ-BGPOZWQASA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [13501830]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5975
Formula: C36H62O9
Ingredient ID: TCMC5975
| Common Name | Ginsenoside-Rh1 |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@](CCC=C(C)C)(O)C)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1 |
| Standard InCHIKey | RAQNTCRNSXYLAH-RFCGZQMISA-N |
| External Identifiers | ChEMBL [CHEMBL466844]; PubChem [12855920]; |
| Reference of Component-Ingredient Pair | 20222417 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5939
Formula: C15H24
Ingredient ID: TCMC5939
| Common Name | Β-Patchoulene |
| IUPAC Name | (1R,5S,8R)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene |
| Canonical SMILES | C[C@H]1CCC2=C1C[C@H]1CC[C@@]2(C1(C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,15-/m0/s1 |
| Standard InCHIKey | CSKINCSXMLCMAR-RWSFTLGLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12313993]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5938
Formula: C30H52O4
Ingredient ID: TCMC5938
| Common Name | Panaxatriol |
| IUPAC Name | (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol |
| Canonical SMILES | O[C@H]1C[C@]2(C)[C@@H]([C@@]3([C@@H]1C(C)(C)[C@@H](O)CC3)C)C[C@H]([C@H]1[C@@]2(C)CC[C@@H]1[C@@]1(C)CCCC(O1)(C)C)O |
| Standard InCHI | InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20-,21+,22-,23-,24-,27+,28+,29+,30+/m0/s1 |
| Standard InCHIKey | QFJUYMMIBFBOJY-XBDFBJNCSA-N |
| External Identifiers | ChEMBL [CHEMBL487293]; PubChem [12313935]; |
| Reference of Component-Ingredient Pair | US2012252768 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5917
Formula: C15H24
Ingredient ID: TCMC5917
| Common Name | Β-Selinene |
| IUPAC Name | (3R,4aR,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene |
| Canonical SMILES | C=C1CCC[C@]2([C@@H]1C[C@@H](CC2)C(=C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14-,15-/m1/s1 |
| Standard InCHIKey | YOVSPTNQHMDJAG-RBSFLKMASA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12309812]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5905
Formula: C15H24
Ingredient ID: TCMC5905
| Common Name | Α-Muurolene |
| IUPAC Name | (1R,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene |
| Canonical SMILES | CC1=C[C@H]2[C@@H](CC1)C(=CC[C@@H]2C(C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m1/s1 |
| Standard InCHIKey | QMAYBMKBYCGXDH-QLFBSQMISA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12306049]; |
| Reference of Component-Ingredient Pair | 20801466 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5904
Formula: C15H24
Ingredient ID: TCMC5904
| Common Name | Α-Cadinene |
| IUPAC Name | (1S,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene |
| Canonical SMILES | CC1=C[C@@H]2[C@@H](CC1)C(=CC[C@H]2C(C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15-/m0/s1 |
| Standard InCHIKey | QMAYBMKBYCGXDH-KKUMJFAQSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12306048]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5817
Formula: C15H26O
Ingredient ID: TCMC5817
| Common Name | Neointermedeol |
| IUPAC Name | (1S,4aR,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@@]2([C@@H](C1)[C@@](C)(O)CCC2)C |
| Standard InCHI | InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14-,15+/m1/s1 |
| Standard InCHIKey | DPQYOKVMVCQHMY-TUVASFSCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11877394]; |
| Reference of Component-Ingredient Pair | 21694678 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5806
Formula: C48H76O19
Ingredient ID: TCMC5806
| Common Name | Ginsenoside R0 |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)[O-])O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/p-1/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
| Standard InCHIKey | NFZYDZXHKFHPGA-QQHDHSITSA-M |
| External Identifiers | ChEMBL [CHEMBL488317]; PubChem [11815492]; |
| Reference of Component-Ingredient Pair | 25204181 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5790
Formula: C17H24O2
Ingredient ID: TCMC5790
| Common Name | (9R,10S)-Epoxyheptadecan-4,6-Diyn-3-One |
| IUPAC Name | 8-[(2R,3S)-3-heptyloxiran-2-yl]octa-4,6-diyn-3-one |
| Canonical SMILES | CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC(=O)CC |
| Standard InCHI | InChI=1S/C17H24O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h16-17H,3-7,10,13-14H2,1-2H3/t16-,17+/m0/s1 |
| Standard InCHIKey | FLWGFJVPYVWJCO-DLBZAZTESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11777402]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5759
Formula: C48H82O18
Ingredient ID: TCMC5759
| Common Name | Ginsenoside Rd |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,45-,46+,47+,48-/m0/s1 |
| Standard InCHIKey | RLDVZILFNVRJTL-IWFVLDDISA-N |
| External Identifiers | ChEMBL [CHEMBL473659]; PubChem [11679800]; |
| Reference of Component-Ingredient Pair | 23833949 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5591
Formula: C17H26O3
Ingredient ID: TCMC5591
| Common Name | Panaxytriol |
| IUPAC Name | (3R,9S,10S)-heptadec-1-en-4,6-diyne-3,9,10-triol |
| Canonical SMILES | CCCCCCC[C@@H]([C@H](CC#CC#C[C@@H](C=C)O)O)O |
| Standard InCHI | InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h4,15-20H,2-3,5-7,10,13-14H2,1H3/t15-,16+,17+/m1/s1 |
| Standard InCHIKey | RDIMTXDFGHNINN-IKGGRYGDSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11108666]; |
| Reference of Component-Ingredient Pair | 20979613 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5576
Formula: C15H24
Ingredient ID: TCMC5576
| Common Name | Α-Selinene |
| IUPAC Name | (3R,4aS,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene |
| Canonical SMILES | CC1=CCC[C@]2([C@@H]1C[C@@H](CC2)C(=C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1 |
| Standard InCHIKey | OZQAPQSEYFAMCY-RBSFLKMASA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11052745]; |
| Reference of Component-Ingredient Pair | 18658271 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5523
Formula: C15H24
Ingredient ID: TCMC5523
| Common Name | Alloaromadendrene |
| IUPAC Name | (1aR,4aS,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene |
| Canonical SMILES | C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CCC2=C |
| Standard InCHI | InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11-,12-,13-,14-/m1/s1 |
| Standard InCHIKey | ITYNGVSTWVVPIC-DHGKCCLASA-N |
| External Identifiers | ChEMBL [CHEMBL3120657]; PubChem [10899740]; |
| Reference of Component-Ingredient Pair | 24263433 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5459
Formula: C15H24
Ingredient ID: TCMC5459
| Common Name | Selina-4(15),7(11)-Diene |
| IUPAC Name | (4aS,8aR)-8a-methyl-4-methylidene-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene |
| Canonical SMILES | C=C1CCC[C@]2([C@H]1CC(=C(C)C)CC2)C |
| Standard InCHI | InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3/t14-,15+/m0/s1 |
| Standard InCHIKey | RMZHSBMIZBMVMN-LSDHHAIUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10655819]; |
| Reference of Component-Ingredient Pair | 24890698 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC54
Formula: C30H52O3
Ingredient ID: TCMC54
| Common Name | (20S)-Protopanaxadiol |
| IUPAC Name | (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol |
| Canonical SMILES | CC(=CCC[C@@]([C@H]1CC[C@@]2([C@@H]1[C@H](O)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)(O)C)C |
| Standard InCHI | InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | PYXFVCFISTUSOO-HKUCOEKDSA-N |
| External Identifiers | ChEMBL [CHEMBL375563]; PubChem [11213350]; |
| Reference of Component-Ingredient Pair | 29607527 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1073 | Gynostemma pentaphyllum | Jiao Gu Lan | 绞股蓝 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
| TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
| TCMH1774 | Panax notoginseng | San Qi Jing Ye | 三七茎叶 |
| TCMH1776 | Panax notoginseng | San Qi Ye | 三七叶 |
| TCMH1777 | Panax notoginseng | San Qi Ye Jing | 三七叶茎 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC5325
Formula: C15H24
Ingredient ID: TCMC5325
| Common Name | (S)-1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohex-1-Ene,Β-Bisabolene |
| IUPAC Name | (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene |
| Canonical SMILES | CC(=CCCC(=C)[C@H]1CCC(=CC1)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1 |
| Standard InCHIKey | XZRVRYFILCSYSP-OAHLLOKOSA-N |
| External Identifiers | ChEMBL [CHEMBL1077088]; PubChem [10104370]; |
| Reference of Component-Ingredient Pair | 15075399 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH33 | Illicium verum | Ba Jiao Hui Xiang | 八角茴香 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH517 | Angelica pubescens | Du Huo | 独活 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC5309
Formula: C47H74O18
Ingredient ID: TCMC5309
| Common Name | Araloside A |
| IUPAC Name | (2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid |
| Canonical SMILES | OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C)C)C(=O)[O-] |
| Standard InCHI | InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-33(55)30(52)28(50)23(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)31(53)35(36(64-40)37(57)58)63-38-32(54)29(51)24(20-49)60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)/p-1/t22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35-,36-,38-,39-,40+,44-,45+,46+,47-/m0/s1 |
| Standard InCHIKey | KQSFNXMDCOFFGW-GNDIVNLPSA-M |
| External Identifiers | ChEMBL [CHEMBL1773982]; PubChem [10079497]; |
| Reference of Component-Ingredient Pair | 1957659 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5255
Formula: C54H92O23
Ingredient ID: TCMC5255
| Common Name | Ginsenoside Rb1 |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1 |
| Standard InCHIKey | GZYPWOGIYAIIPV-JBDTYSNRSA-N |
| External Identifiers | ChEMBL [CHEMBL501515]; PubChem [9898279]; |
| Reference of Component-Ingredient Pair | 25422538 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5230
Formula: C36H62O9
Ingredient ID: TCMC5230
| Common Name | Ginsenoside F1 |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@]([C@H]2CC[C@@]3([C@@H]2[C@H](O)C[C@H]2[C@@]3(C)C[C@@H]([C@@H]3[C@]2(C)CC[C@@H](C3(C)C)O)O)C)(CCC=C(C)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31-,33+,34+,35+,36-/m0/s1 |
| Standard InCHIKey | XNGXWSFSJIQMNC-FIYORUNESA-N |
| External Identifiers | ChEMBL [CHEMBL584011]; PubChem [9809542]; |
| Reference of Component-Ingredient Pair | 12583159 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5175
Formula: C15H24
Ingredient ID: TCMC5175
| Common Name | Beta-Elemene,Β-Elemene |
| IUPAC Name | (1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane |
| Canonical SMILES | C=C[C@]1(C)CC[C@H](C[C@H]1C(=C)C)C(=C)C |
| Standard InCHI | InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1 |
| Standard InCHIKey | OPFTUNCRGUEPRZ-QLFBSQMISA-N |
| External Identifiers | ChEMBL [CHEMBL448502]; PubChem [6918391]; |
| Reference of Component-Ingredient Pair | 23397083 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH183 | Dryobalanops aromatica | Bing Pian | 冰片 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC5173
Formula: C53H90O22
Ingredient ID: TCMC5173
| Common Name | Ginsenoside Rb2 |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1 |
| Standard InCHIKey | NODILNFGTFIURN-GZPRDHCNSA-N |
| External Identifiers | ChEMBL [CHEMBL449303]; PubChem [6917976]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5087
Formula: C15H24
Ingredient ID: TCMC5087
| Common Name | Γ-Cadinene |
| IUPAC Name | (1S,4aR,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
| Canonical SMILES | CC1=C[C@@H]2[C@@H](CC1)C(=C)CC[C@H]2C(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m0/s1 |
| Standard InCHIKey | WRHGORWNJGOVQY-KKUMJFAQSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6432404]; |
| Reference of Component-Ingredient Pair | 19198947 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5086
Formula: C15H24
Ingredient ID: TCMC5086
| Common Name | (1S,2S)-2-Isopropenyl-4-Isopropylidene-1-Methyl-1-Vinylcyclohexane,Γ-Elemene |
| IUPAC Name | (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane |
| Canonical SMILES | C=C[C@]1(C)CCC(=C(C)C)C[C@H]1C(=C)C |
| Standard InCHI | InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3/t14-,15+/m0/s1 |
| Standard InCHIKey | BQSLMQNYHVFRDT-LSDHHAIUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6432312]; |
| Reference of Component-Ingredient Pair | 17873868 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC468
Formula: C15H16O
Ingredient ID: TCMC468
| Common Name | 4-(2-Phenylpropan-2-Yl)Phenol |
| IUPAC Name | 4-(2-phenylpropan-2-yl)phenol |
| Canonical SMILES | Oc1ccc(cc1)C(c1ccccc1)(C)C |
| Standard InCHI | InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3 |
| Standard InCHIKey | QBDSZLJBMIMQRS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL194805]; PubChem [11742]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4648
Formula: C6H8O7
Ingredient ID: TCMC4648
| Common Name | Isocitric Acid C |
| IUPAC Name | (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid |
| Canonical SMILES | [O-]C(=O)C[C@@H]([C@H](C(=O)[O-])O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3/t2-,4+/m0/s1 |
| Standard InCHIKey | ODBLHEXUDAPZAU-ZAFYKAAXSA-K |
| External Identifiers | ChEMBL [CHEMBL390356]; PubChem [5318532]; |
| Reference of Component-Ingredient Pair | 12007799 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4614
Formula: C15H24
Ingredient ID: TCMC4614
| Common Name | Β-Humulene |
| IUPAC Name | (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene |
| Canonical SMILES | C=C1CCC/C(=C/CC(/C=C/C1)(C)C)/C |
| Standard InCHI | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6,10-11H,1,5,7-9,12H2,2-4H3/b11-6+,14-10+ |
| Standard InCHIKey | HAVYZKHVTLAPDZ-PPGMXFKZSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5318102]; |
| Reference of Component-Ingredient Pair | 25697880 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4604
Formula: C15H24
Ingredient ID: TCMC4604
| Common Name | Α-Guaiene |
| IUPAC Name | (1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@@H](C2=C(C1)[C@@H](C)CC2)C |
| Standard InCHI | InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m0/s1 |
| Standard InCHIKey | ADIDQIZBYUABQK-RWMBFGLXSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5317844]; |
| Reference of Component-Ingredient Pair | 9442047 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4556
Formula: C15H24
Ingredient ID: TCMC4556
| Common Name | Β-Farnesene |
| IUPAC Name | (6Z)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene |
| Canonical SMILES | C=CC(=C)CC/C=C(CCC=C(C)C)/C |
| Standard InCHI | InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12- |
| Standard InCHIKey | JSNRRGGBADWTMC-QINSGFPZSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5317319]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4524
Formula: C11H10O3
Ingredient ID: TCMC4524
| Common Name | 2,5-Dimethyl-7-Hydroxy Chromone |
| IUPAC Name | 7-hydroxy-2,5-dimethylchromen-4-one |
| Canonical SMILES | Oc1cc(C)c2c(c1)oc(cc2=O)C |
| Standard InCHI | InChI=1S/C11H10O3/c1-6-3-8(12)5-10-11(6)9(13)4-7(2)14-10/h3-5,12H,1-2H3 |
| Standard InCHIKey | CRNGFKXWIYTEPH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL509319]; PubChem [5316891]; |
| Reference of Component-Ingredient Pair | 24385360 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4507
Formula: C12H16O8
Ingredient ID: TCMC4507
| Common Name | Dianthoside |
| IUPAC Name | 2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(C)occc2=O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1 |
| Standard InCHIKey | YGSIRXHFAUFUEJ-GPTQDWHKSA-N |
| External Identifiers | ChEMBL [CHEMBL485278]; PubChem [5316639]; |
| Reference of Component-Ingredient Pair | 22242427 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4408
Formula: C28H48O
Ingredient ID: TCMC4408
| Common Name | Campesterol,M-Cresol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@@H](C(C)C)C)C)C)C1)C |
| Standard InCHI | InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1 |
| Standard InCHIKey | SGNBVLSWZMBQTH-ZRUUVFCLSA-N |
| External Identifiers | ChEMBL [CHEMBL485421]; PubChem [5283637]; |
| Reference of Component-Ingredient Pair | 28357621 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1845 | Dioscorea batatas | Shan Yao | 山药 |
| TCMH700 | Drynaria fortunei | Gu Sui Bu | 骨碎补 |
| TCMH834 | Semen glycine max | Hei Dou | 黑豆 |
| TCMH949 | Phellodendron amurense | Huang Bai | 黄柏 |
| TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC4336
Formula: C15H24
Ingredient ID: TCMC4336
| Common Name | (1R,9S)-4,11,11-Trimethyl-8-Methylenebicyclo[7.2.0]Undec-4-Ene,Caryophellene,Β-Caryophyllene |
| IUPAC Name | (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
| Canonical SMILES | C/C/1=CCCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1 |
| Standard InCHIKey | NPNUFJAVOOONJE-GFUGXAQUSA-N |
| External Identifiers | ChEMBL [CHEMBL445740]; PubChem [5281515]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH144 | Herba artemisiae anomalae | Bei Liu Ji Nu | 北刘寄奴 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH183 | Dryobalanops aromatica | Bing Pian | 冰片 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC4324
Formula: C29H48O
Ingredient ID: TCMC4324
| Common Name | Stigmasterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | HCXVJBMSMIARIN-KEJCWXRGSA-N |
| External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5281330]; |
| Reference of Component-Ingredient Pair | 24242815 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
Showing 1 to 10 of 37 entries
Ingredient ID: TCMC4229
Formula: C15H26O
Ingredient ID: TCMC4229
| Common Name | Ginsenol |
| IUPAC Name | (1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol |
| Canonical SMILES | CC1(C)C[C@@]2([C@@]3([C@H]1CC[C@@]2(C)CCC3)C)O |
| Standard InCHI | InChI=1S/C15H26O/c1-12(2)10-15(16)13(3)7-5-8-14(15,4)11(12)6-9-13/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15+/m0/s1 |
| Standard InCHIKey | QOXUIQMPPDIDGM-PMOUVXMZSA-N |
| External Identifiers | ChEMBL [CHEMBL470270]; PubChem [3082861]; |
| Reference of Component-Ingredient Pair | 3240469 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC402
Formula: C16H32O
Ingredient ID: TCMC402
| Common Name | 2-Tetradecyloxirane |
| IUPAC Name | 2-tetradecyloxirane |
| Canonical SMILES | CCCCCCCCCCCCCCC1OC1 |
| Standard InCHI | InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3 |
| Standard InCHIKey | DSZTYVZOIUIIGA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1606644]; PubChem [23741]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2545 | Houttuynia cordata | Yu Xing Cao | 鱼腥草 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3966
Formula: C29H50O
Ingredient ID: TCMC3966
| Common Name | Sitosterol,Β-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-FBZNIEFRSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [457801]; |
| Reference of Component-Ingredient Pair | 23115546 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
Showing 1 to 10 of 71 entries
Ingredient ID: TCMC3958
Formula: C6H8O7
Ingredient ID: TCMC3958
| Common Name | Isocitric Acid B |
| IUPAC Name | (1S,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid |
| Canonical SMILES | [O-]C(=O)C[C@@H]([C@@H](C(=O)[O-])O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3/t2-,4-/m0/s1 |
| Standard InCHIKey | ODBLHEXUDAPZAU-OKKQSCSOSA-K |
| External Identifiers | ChEMBL [N/A]; PubChem [447805]; |
| Reference of Component-Ingredient Pair | US4022803 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC395
Formula: C9H16O
Ingredient ID: TCMC395
| Common Name | 2-Nonenal |
| IUPAC Name | (E)-non-2-enal |
| Canonical SMILES | CCCCCC/C=C/C=O |
| Standard InCHI | InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+ |
| Standard InCHIKey | BSAIUMLZVGUGKX-BQYQJAHWSA-N |
| External Identifiers | ChEMBL [CHEMBL450072]; PubChem [5283335]; |
| Reference of Component-Ingredient Pair | 20619253 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
| TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC391
Formula: C5H6O
Ingredient ID: TCMC391
| Common Name | 2-Methylfuran |
| IUPAC Name | 2-methylfuran |
| Canonical SMILES | Cc1ccco1 |
| Standard InCHI | InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3 |
| Standard InCHIKey | VQKFNUFAXTZWDK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1445555]; PubChem [10797]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1495 | Gossypium herbaceum | Mian Hua Gen | 棉花根 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
| TCMH2192 | Prunus mume | Wu Mei Rou | 乌梅肉 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC3859
Formula: C42H72O14
Ingredient ID: TCMC3859
| Common Name | Ginsenoside Rg1 |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1 |
| Standard InCHIKey | YURJSTAIMNSZAE-HHNZYBFYSA-N |
| External Identifiers | ChEMBL [CHEMBL501637]; PubChem [441923]; |
| Reference of Component-Ingredient Pair | 25422538 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3857
Formula: C48H82O18
Ingredient ID: TCMC3857
| Common Name | Ginsenoside Re |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1 |
| Standard InCHIKey | PWAOOJDMFUQOKB-WCZZMFLVSA-N |
| External Identifiers | ChEMBL [CHEMBL510095]; PubChem [441921]; |
| Reference of Component-Ingredient Pair | 29037473 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3832
Formula: C6H10O7
Ingredient ID: TCMC3832
| Common Name | Glucuronic Acid |
| IUPAC Name | (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
| Canonical SMILES | O[C@@H]1O[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/p-1/t1-,2-,3+,4-,6+/m0/s1 |
| Standard InCHIKey | AEMOLEFTQBMNLQ-QIUUJYRFSA-M |
| External Identifiers | ChEMBL [CHEMBL1159524]; PubChem [441478]; |
| Reference of Component-Ingredient Pair | 22069744 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3827
Formula: C15H24
Ingredient ID: TCMC3827
| Common Name | Δ-Cadinol,Δ-Cadinene |
| IUPAC Name | (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene |
| Canonical SMILES | CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1 |
| Standard InCHI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1 |
| Standard InCHIKey | FUCYIEXQVQJBKY-ZFWWWQNUSA-N |
| External Identifiers | ChEMBL [CHEMBL445759]; PubChem [441005]; |
| Reference of Component-Ingredient Pair | 22799105 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2238 | Siegesbeckiae herba | Xi Xian Cao | 豨莶草 |
| TCMH2725 | Fructus perillae | Zi Su Zi | 紫苏子 |
| TCMH512 | Fructus amomi rotundus | Dou Kou | 豆蔻 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3819
Formula: C6H8O7
Ingredient ID: TCMC3819
| Common Name | Isocitric Acid D |
| IUPAC Name | (1S,2R)-1-hydroxypropane-1,2,3-tricarboxylic acid |
| Canonical SMILES | [O-]C(=O)C[C@H]([C@@H](C(=O)[O-])O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3/t2-,4+/m1/s1 |
| Standard InCHIKey | ODBLHEXUDAPZAU-FONMRSAGSA-K |
| External Identifiers | ChEMBL [CHEMBL2338331]; PubChem [440409]; |
| Reference of Component-Ingredient Pair | 24522902 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3814
Formula: C6H12O5
Ingredient ID: TCMC3814
| Common Name | Rhamnose |
| IUPAC Name | (2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol |
| Canonical SMILES | O[C@H]1[C@H](C)O[C@H]([C@@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1 |
| Standard InCHIKey | SHZGCJCMOBCMKK-HGVZOGFYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [439710]; |
| Reference of Component-Ingredient Pair | 23836132 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3812
Formula: C6H12O6
Ingredient ID: TCMC3812
| Common Name | Mannose-B |
| IUPAC Name | (2R,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Canonical SMILES | OC[C@H]1O[C@@H](O)[C@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1 |
| Standard InCHIKey | WQZGKKKJIJFFOK-RWOPYEJCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [439680]; |
| Reference of Component-Ingredient Pair | 17516162 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3807
Formula: C12H22O11
Ingredient ID: TCMC3807
| Common Name | Maltose |
| IUPAC Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O |
| Standard InCHI | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1 |
| Standard InCHIKey | GUBGYTABKSRVRQ-ASMJPISFSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [439341]; |
| Reference of Component-Ingredient Pair | 21054848 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3803
Formula: C6H8O7
Ingredient ID: TCMC3803
| Common Name | Isocitric Acid |
| IUPAC Name | (1R,2R)-1-hydroxypropane-1,2,3-tricarboxylic acid |
| Canonical SMILES | [O-]C(=O)C[C@H]([C@H](C(=O)[O-])O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3/t2-,4-/m1/s1 |
| Standard InCHIKey | ODBLHEXUDAPZAU-VVJJHMBFSA-K |
| External Identifiers | ChEMBL [N/A]; PubChem [439238]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC378
Formula: C8H8O3
Ingredient ID: TCMC378
| Common Name | 2-Hydroxy-3-Methoxybenzaldehyde |
| IUPAC Name | 2-hydroxy-3-methoxybenzaldehyde |
| Canonical SMILES | COc1cccc(c1O)C=O |
| Standard InCHI | InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3 |
| Standard InCHIKey | JJVNINGBHGBWJH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL13859]; PubChem [8991]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3740
Formula: C4H6O5
Ingredient ID: TCMC3740
| Common Name | Malic Acid |
| IUPAC Name | (2S)-2-hydroxybutanedioic acid |
| Canonical SMILES | [O-]C(=O)C[C@@H](C(=O)[O-])O |
| Standard InCHI | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1 |
| Standard InCHIKey | BJEPYKJPYRNKOW-REOHCLBHSA-L |
| External Identifiers | ChEMBL [N/A]; PubChem [222656]; |
| Reference of Component-Ingredient Pair | 22569531 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3695
Formula: C6H12O6
Ingredient ID: TCMC3695
| Common Name | Mannose |
| IUPAC Name | (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Canonical SMILES | OC[C@H]1O[C@H](O)[C@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1 |
| Standard InCHIKey | WQZGKKKJIJFFOK-PQMKYFCFSA-N |
| External Identifiers | ChEMBL [CHEMBL365590]; PubChem [185698]; |
| Reference of Component-Ingredient Pair | 22771955 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC369
Formula: C8H18O
Ingredient ID: TCMC369
| Common Name | 2-Ethylhexan-1-Ol |
| IUPAC Name | 2-ethylhexan-1-ol |
| Canonical SMILES | CCCCC(CO)CC |
| Standard InCHI | InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 |
| Standard InCHIKey | YIWUKEYIRIRTPP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL31637]; PubChem [7720]; |
| Reference of Component-Ingredient Pair | 22989014 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
Showing 1 to 10 of 28 entries
Ingredient ID: TCMC36
Formula: C20H36O2
Ingredient ID: TCMC36
| Common Name | (11Z,14Z)-Icosa-11,14-Dienoic Acid |
| IUPAC Name | (11Z,14Z)-icosa-11,14-dienoic acid |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9- |
| Standard InCHIKey | XSXIVVZCUAHUJO-HZJYTTRNSA-N |
| External Identifiers | ChEMBL [CHEMBL464983]; PubChem [6439848]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH195 | Raphanus sativus | Cai Fu Zi | 菜菔子 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH865 | Carthamus tinctorius | Hong Hua | 红花 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC3554
Formula: C23H28O6
Ingredient ID: TCMC3554
| Common Name | Deoxygomisin A |
| IUPAC Name | (9R,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene |
| Canonical SMILES | COc1cc2C[C@@H](C)[C@@H](C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m1/s1 |
| Standard InCHIKey | RTZKSTLPRTWFEV-OLZOCXBDSA-N |
| External Identifiers | ChEMBL [CHEMBL402435]; PubChem [158103]; |
| Reference of Component-Ingredient Pair | 22003191 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3481
Formula: C17H26O3
Ingredient ID: TCMC3481
| Common Name | Panaxacol |
| IUPAC Name | (9R,10R)-9,10-dihydroxyheptadeca-4,6-diyn-3-one |
| Canonical SMILES | CCCCCCC[C@H]([C@@H](CC#CC#CC(=O)CC)O)O |
| Standard InCHI | InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h16-17,19-20H,3-7,10,13-14H2,1-2H3/t16-,17-/m1/s1 |
| Standard InCHIKey | VNLATJUGAZKQEH-IAGOWNOFSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [129429]; |
| Reference of Component-Ingredient Pair | 22382419 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC347
Formula: C36H62O8
Ingredient ID: TCMC347
| Common Name | 20(R)-Ginsenoside |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](CCC=C(C)C)(O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36+/m0/s1 |
| Standard InCHIKey | CKUVNOCSBYYHIS-SUEBGMEDSA-N |
| External Identifiers | ChEMBL [CHEMBL1783835]; PubChem [54580480]; |
| Reference of Component-Ingredient Pair | 25590943 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC345
Formula: C19H19N7O6
Ingredient ID: TCMC345
| Common Name | 2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid |
| IUPAC Name | 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid |
| Canonical SMILES | OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(=N)[nH]2 |
| Standard InCHI | InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30) |
| Standard InCHIKey | OVBPIULPVIDEAO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL277040]; PubChem [3405]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH305 | Cnidium officinale | Chuan Xiong | 川芎 |
| TCMH307 | Cnidium officinale | Chuan Xiong Jin Gao | 川芎浸膏 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC3345
Formula: C15H26O
Ingredient ID: TCMC3345
| Common Name | Widdrol |
| IUPAC Name | (7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol |
| Canonical SMILES | C[C@@]1(O)CC=C2[C@@](CC1)(C)CCCC2(C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-11-15(4,16)9-6-12(13)14/h6,16H,5,7-11H2,1-4H3/t14-,15+/m0/s1 |
| Standard InCHIKey | BXGVVQADPFXGHD-LSDHHAIUSA-N |
| External Identifiers | ChEMBL [CHEMBL2253133]; PubChem [94334]; |
| Reference of Component-Ingredient Pair | 26359088 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC333
Formula: C6H8O
Ingredient ID: TCMC333
| Common Name | 2,5-Dimethylfuran |
| IUPAC Name | 2,5-dimethylfuran |
| Canonical SMILES | Cc1ccc(o1)C |
| Standard InCHI | InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3 |
| Standard InCHIKey | GSNUFIFRDBKVIE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1416448]; PubChem [12266]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3255
Formula: C30H52O3
Ingredient ID: TCMC3255
| Common Name | Panaxadiol |
| IUPAC Name | (3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol |
| Canonical SMILES | O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](C([C@@H]3CC[C@]2([C@]2([C@H]1[C@H](CC2)[C@@]1(C)CCCC(O1)(C)C)C)C)(C)C)O |
| Standard InCHI | InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1 |
| Standard InCHIKey | PVLHOJXLNBFHDX-XHJPDDKBSA-N |
| External Identifiers | ChEMBL [CHEMBL491655]; PubChem [73498]; |
| Reference of Component-Ingredient Pair | 28768436 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3208
Formula: C15H26O
Ingredient ID: TCMC3208
| Common Name | Cedrol,Eudesmol,Α-Cedrol |
| IUPAC Name | (1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol |
| Canonical SMILES | C[C@@H]1CC[C@@H]2[C@@]31CC[C@@]([C@H](C3)C2(C)C)(C)O |
| Standard InCHI | InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1 |
| Standard InCHIKey | SVURIXNDRWRAFU-OGMFBOKVSA-N |
| External Identifiers | ChEMBL [CHEMBL1974890]; PubChem [65575]; |
| Reference of Component-Ingredient Pair | 22818358 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH144 | Herba artemisiae anomalae | Bei Liu Ji Nu | 北刘寄奴 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH33 | Illicium verum | Ba Jiao Hui Xiang | 八角茴香 |
| TCMH797 | Sargassum | Hai Zao | 海藻 |
| TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC3148
Formula: C6H12O6
Ingredient ID: TCMC3148
| Common Name | Fructose |
| IUPAC Name | (2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Canonical SMILES | OC[C@@]1(O)OC[C@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1 |
| Standard InCHIKey | LKDRXBCSQODPBY-ARQDHWQXSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [24310]; |
| Reference of Component-Ingredient Pair | 26520834 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC312
Formula: C6H14
Ingredient ID: TCMC312
| Common Name | 2,2-Dimethylbutane |
| IUPAC Name | 2,2-dimethylbutane |
| Canonical SMILES | CCC(C)(C)C |
| Standard InCHI | InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3 |
| Standard InCHIKey | HNRMPXKDFBEGFZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL142735]; PubChem [6403]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3110
Formula: C10H18O4
Ingredient ID: TCMC3110
| Common Name | Dibutyl Oxalate |
| IUPAC Name | dibutyl oxalate |
| Canonical SMILES | CCCCOC(=O)C(=O)OCCCC |
| Standard InCHI | InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3 |
| Standard InCHIKey | JKRZOJADNVOXPM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3185643]; PubChem [16306]; |
| Reference of Component-Ingredient Pair | 24226993 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3101
Formula: C17H36O
Ingredient ID: TCMC3101
| Common Name | 1-Heptadecanol |
| IUPAC Name | heptadecan-1-ol |
| Canonical SMILES | CCCCCCCCCCCCCCCCCO |
| Standard InCHI | InChI=1S/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3 |
| Standard InCHIKey | GOQYKNQRPGWPLP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL278989]; PubChem [15076]; |
| Reference of Component-Ingredient Pair | 22151413 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3068
Formula: C29H60
Ingredient ID: TCMC3068
| Common Name | Nonacosane |
| IUPAC Name | nonacosane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3 |
| Standard InCHIKey | IGGUPRCHHJZPBS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL428955]; PubChem [12409]; |
| Reference of Component-Ingredient Pair | 22292044 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1813 | Asarum sagittarioides | Shan Ci Gu | 山慈菇 |
| TCMH2128 | Rhizoma bolbostemmae | Tu Bei Mu | 土贝母 |
| TCMH2252 | Agrimonia pilosa var. japonica | Xian He Cao | 仙鹤草 |
| TCMH2641 | Gardenia jasminoides | Zhi Zi | 栀子 |
| TCMH2693 | Fructus gleditsiae abnormalis | Zhu Ya Zao | 猪牙皂 |
| TCMH389 | Gleditsiae sinensis fructus | Da Zao Jiao | 大皂角 |
| TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC3060
Formula: C17H36
Ingredient ID: TCMC3060
| Common Name | Heptadecane |
| IUPAC Name | heptadecane |
| Canonical SMILES | CCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3 |
| Standard InCHIKey | NDJKXXJCMXVBJW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3185332]; PubChem [12398]; |
| Reference of Component-Ingredient Pair | 22301356 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3058
Formula: C15H32
Ingredient ID: TCMC3058
| Common Name | Pentadecane |
| IUPAC Name | pentadecane |
| Canonical SMILES | CCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3 |
| Standard InCHIKey | YCOZIPAWZNQLMR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1234557]; PubChem [12391]; |
| Reference of Component-Ingredient Pair | 22836827 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC3057
Formula: C14H30
Ingredient ID: TCMC3057
| Common Name | Tetradecane |
| IUPAC Name | tetradecane |
| Canonical SMILES | CCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3 |
| Standard InCHIKey | BGHCVCJVXZWKCC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL135488]; PubChem [12389]; |
| Reference of Component-Ingredient Pair | 22559716 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3056
Formula: C13H28
Ingredient ID: TCMC3056
| Common Name | N-Tridecane |
| IUPAC Name | tridecane |
| Canonical SMILES | CCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3 |
| Standard InCHIKey | IIYFAKIEWZDVMP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL135694]; PubChem [12388]; |
| Reference of Component-Ingredient Pair | 22210557 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3029
Formula: C51H98O6
Ingredient ID: TCMC3029
| Common Name | Palmitin |
| IUPAC Name | 2,3-di(hexadecanoyloxy)propyl hexadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3 |
| Standard InCHIKey | PVNIQBQSYATKKL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2002154]; PubChem [11147]; |
| Reference of Component-Ingredient Pair | 21845943 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3025
Formula: C16H34
Ingredient ID: TCMC3025
| Common Name | Hexadecane |
| IUPAC Name | hexadecane |
| Canonical SMILES | CCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 |
| Standard InCHIKey | DCAYPVUWAIABOU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL134994]; PubChem [11006]; |
| Reference of Component-Ingredient Pair | 22909967 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH158 | Piper longum | Bi Ba | 荜茇 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2969
Formula: C20H42
Ingredient ID: TCMC2969
| Common Name | Eicosane |
| IUPAC Name | icosane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3 |
| Standard InCHIKey | CBFCDTFDPHXCNY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [8222]; |
| Reference of Component-Ingredient Pair | 22901681 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2965
Formula: C12H26
Ingredient ID: TCMC2965
| Common Name | Dodecane |
| IUPAC Name | dodecane |
| Canonical SMILES | CCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3 |
| Standard InCHIKey | SNRUBQQJIBEYMU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL30959]; PubChem [8182]; |
| Reference of Component-Ingredient Pair | 22996259 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2887
Formula: C5H10O5
Ingredient ID: TCMC2887
| Common Name | Xylose |
| IUPAC Name | (2S,3R,4S,5R)-oxane-2,3,4,5-tetrol |
| Canonical SMILES | O[C@@H]1CO[C@@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1 |
| Standard InCHIKey | SRBFZHDQGSBBOR-LECHCGJUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6027]; |
| Reference of Component-Ingredient Pair | 22315613 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1339 | Phragmites communis | Lu Gen | 芦根 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1845 | Dioscorea batatas | Shan Yao | 山药 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH90 | Imperata cylindrica | Bai Mao Gen | 白茅根 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2886
Formula: C12H22O11
Ingredient ID: TCMC2886
| Common Name | Sucrose |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 |
| Standard InCHIKey | CZMRCDWAGMRECN-UGDNZRGBSA-N |
| External Identifiers | ChEMBL [CHEMBL253582]; PubChem [5988]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1329 | Arillus longan | Long Yan Rou | 龙眼肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2856
Formula: C3H4O3
Ingredient ID: TCMC2856
| Common Name | Pyruvic Acid |
| IUPAC Name | 2-oxopropanoic acid |
| Canonical SMILES | CC(=O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1 |
| Standard InCHIKey | LCTONWCANYUPML-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1162144]; PubChem [1060]; |
| Reference of Component-Ingredient Pair | 28558019 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC285
Formula: C11H10
Ingredient ID: TCMC285
| Common Name | 1-Methylnaphthalene |
| IUPAC Name | 1-methylnaphthalene |
| Canonical SMILES | Cc1cccc2c1cccc2 |
| Standard InCHI | InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3 |
| Standard InCHIKey | QPUYECUOLPXSFR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL383808]; PubChem [7002]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2506 | Ginkgo biloba | Yin Xing Ye | 银杏叶 |
| TCMH348 | Lobelia chinensis | Da Ban Bian Lian | 大半边莲 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC2843
Formula: C8H16O
Ingredient ID: TCMC2843
| Common Name | Octanal |
| IUPAC Name | octanal |
| Canonical SMILES | CCCCCCCC=O |
| Standard InCHI | InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3 |
| Standard InCHIKey | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL18407]; PubChem [454]; |
| Reference of Component-Ingredient Pair | 25014914 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC284
Formula: C10H16
Ingredient ID: TCMC284
| Common Name | 1-Methyl-4-Prop-1-En-2-Ylcyclohexene |
| IUPAC Name | 1-methyl-4-prop-1-en-2-ylcyclohexene |
| Canonical SMILES | CC1=CCC(CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 |
| Standard InCHIKey | XMGQYMWWDOXHJM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15799]; PubChem [22311]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
Showing 1 to 10 of 105 entries
Ingredient ID: TCMC2822
Formula: C15H24
Ingredient ID: TCMC2822
| Common Name | Alpha-Humulone |
| IUPAC Name | (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
| Canonical SMILES | C/C/1=CCC(C)(C)/C=C/C/C(=C/CC1)/C |
| Standard InCHI | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ |
| Standard InCHIKey | FAMPSKZZVDUYOS-HRGUGZIWSA-N |
| External Identifiers | ChEMBL [CHEMBL251280]; PubChem [5281520]; |
| Reference of Component-Ingredient Pair | 29248443 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
Showing 1 to 10 of 111 entries
Ingredient ID: TCMC2815
Formula: C15H24
Ingredient ID: TCMC2815
| Common Name | Caryophyllene |
| IUPAC Name | (1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
| Canonical SMILES | C/C/1=C/CCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1 |
| Standard InCHIKey | NPNUFJAVOOONJE-FLFDDASRSA-N |
| External Identifiers | ChEMBL [CHEMBL448700]; PubChem [5281522]; |
| Reference of Component-Ingredient Pair | 26424685 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 68 entries
Ingredient ID: TCMC2644
Formula: C7H12O
Ingredient ID: TCMC2644
| Common Name | (E)-2-Heptenal |
| IUPAC Name | (E)-hept-2-enal |
| Canonical SMILES | CCCC/C=C/C=O |
| Standard InCHI | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+ |
| Standard InCHIKey | NDFKTBCGKNOHPJ-AATRIKPKSA-N |
| External Identifiers | ChEMBL [CHEMBL454759]; PubChem [5283316]; |
| Reference of Component-Ingredient Pair | 23004348 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC2603
Formula: C7H8O2
Ingredient ID: TCMC2603
| Common Name | Methylhydroquinone |
| IUPAC Name | 2-methylbenzene-1,4-diol |
| Canonical SMILES | Oc1ccc(c(c1)C)O |
| Standard InCHI | InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3 |
| Standard InCHIKey | CNHDIAIOKMXOLK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL450917]; PubChem [7253]; |
| Reference of Component-Ingredient Pair | 19662873 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2581
Formula: C12H26O
Ingredient ID: TCMC2581
| Common Name | Dodecanol |
| IUPAC Name | dodecan-1-ol |
| Canonical SMILES | CCCCCCCCCCCCO |
| Standard InCHI | InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3 |
| Standard InCHIKey | LQZZUXJYWNFBMV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL24722]; PubChem [8193]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC2560
Formula: C9H20O
Ingredient ID: TCMC2560
| Common Name | Nonanol |
| IUPAC Name | nonan-1-ol |
| Canonical SMILES | CCCCCCCCCO |
| Standard InCHI | InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3 |
| Standard InCHIKey | ZWRUINPWMLAQRD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL24563]; PubChem [8914]; |
| Reference of Component-Ingredient Pair | 29069497 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC2550
Formula: C15H24
Ingredient ID: TCMC2550
| Common Name | (+)-Germacrene D |
| IUPAC Name | (1E,6E,8R)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene |
| Canonical SMILES | C/C/1=CCCC(=C)/C=C/[C@H](CC1)C(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m1/s1 |
| Standard InCHIKey | GAIBLDCXCZKKJE-RGZOGPIRSA-N |
| External Identifiers | ChEMBL [CHEMBL1836650]; PubChem [24771782]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC253
Formula: C12H12
Ingredient ID: TCMC253
| Common Name | 1,6-Dimethylnaphthalene |
| IUPAC Name | 1,6-dimethylnaphthalene |
| Canonical SMILES | Cc1ccc2c(c1)cccc2C |
| Standard InCHI | InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3 |
| Standard InCHIKey | CBMXCNPQDUJNHT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL363803]; PubChem [11328]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2510
Formula: C15H26O
Ingredient ID: TCMC2510
| Common Name | Nerolidiol |
| IUPAC Name | (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| Canonical SMILES | C=C[C@](CC/C=C(CCC=C(C)C)/C)(O)C |
| Standard InCHI | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-/t15-/m1/s1 |
| Standard InCHIKey | FQTLCLSUCSAZDY-QKXCFHHRSA-N |
| External Identifiers | ChEMBL [CHEMBL561014]; PubChem [5356544]; |
| Reference of Component-Ingredient Pair | 11731906 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
Showing 1 to 10 of 54 entries
Ingredient ID: TCMC2482
Formula: C17H24O
Ingredient ID: TCMC2482
| Common Name | Falcarinol |
| IUPAC Name | (3S,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol |
| Canonical SMILES | CCCCCCC/C=CCC#CC#C[C@H](C=C)O |
| Standard InCHI | InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m0/s1 |
| Standard InCHIKey | UGJAEDFOKNAMQD-MQNTZWLQSA-N |
| External Identifiers | ChEMBL [CHEMBL368712]; PubChem [5469789]; |
| Reference of Component-Ingredient Pair | 22121807 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC243
Formula: C19H38O4
Ingredient ID: TCMC243
| Common Name | 1,3-Dihydroxypropan-2-Yl Hexadecanoate |
| IUPAC Name | 1,3-dihydroxypropan-2-yl hexadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OC(CO)CO |
| Standard InCHI | InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3 |
| Standard InCHIKey | BBNYCLAREVXOSG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1317070]; PubChem [123409]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC2404
Formula: C30H50
Ingredient ID: TCMC2404
| Common Name | Squalene |
| IUPAC Name | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene |
| Canonical SMILES | C/C(=CCC/C=C(/CC/C=C(/CCC=C(C)C)C)C)/CC/C=C(/CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+ |
| Standard InCHIKey | YYGNTYWPHWGJRM-AAJYLUCBSA-N |
| External Identifiers | ChEMBL [CHEMBL458402]; PubChem [638072]; |
| Reference of Component-Ingredient Pair | 16557464 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1648 | Sagina japonica | Qi Gu Cao | 漆姑草 |
Showing 1 to 10 of 49 entries
Ingredient ID: TCMC2395
Formula: C14H15NO8
Ingredient ID: TCMC2395
| Common Name | Pancratistatin |
| IUPAC Name | (1R,2S,3S,4S,4aR,11bR)-1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one |
| Canonical SMILES | O[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H]([C@@H]1O)N=C(c1c2cc2OCOc2c1O)O |
| Standard InCHI | InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12+/m1/s1 |
| Standard InCHIKey | VREZDOWOLGNDPW-ALTGWBOUSA-N |
| External Identifiers | ChEMBL [CHEMBL419335]; PubChem [441597]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2325
Formula: C21H20O11
Ingredient ID: TCMC2325
| Common Name | Trifolin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1 |
| Standard InCHIKey | JPUKWEQWGBDDQB-DTGCRPNFSA-N |
| External Identifiers | ChEMBL [CHEMBL453290]; PubChem [5282149]; |
| Reference of Component-Ingredient Pair | 17072829 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1435 | Psychotria serpens | Man Jiu Jie | 蔓九节 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC2324
Formula: C10H16
Ingredient ID: TCMC2324
| Common Name | Limonene |
| IUPAC Name | (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene |
| Canonical SMILES | CC1=CC[C@@H](CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 |
| Standard InCHIKey | XMGQYMWWDOXHJM-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL449062]; PubChem [440917]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Showing 1 to 10 of 147 entries
Ingredient ID: TCMC228
Formula: C6H14O2
Ingredient ID: TCMC228
| Common Name | 1,1-Diethoxyethane |
| IUPAC Name | 1,1-diethoxyethane |
| Canonical SMILES | CCOC(OCC)C |
| Standard InCHI | InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3 |
| Standard InCHIKey | DHKHKXVYLBGOIT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1338583]; PubChem [7765]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2056 | Cynomorium songaricum | Suo Yang | 锁阳 |
| TCMH2726 | Pterocarpus indicus | Zi Tan | 紫檀 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC2233
Formula: C21H20O10
Ingredient ID: TCMC2233
| Common Name | Vitexin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O |
| Standard InCHI | InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1 |
| Standard InCHIKey | SGEWCQFRYRRZDC-VPRICQMDSA-N |
| External Identifiers | ChEMBL [CHEMBL487417]; PubChem [5280441]; |
| Reference of Component-Ingredient Pair | 22475010 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1073 | Gynostemma pentaphyllum | Jiao Gu Lan | 绞股蓝 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
Showing 1 to 10 of 54 entries
Ingredient ID: TCMC2223
Formula: C8H8O3
Ingredient ID: TCMC2223
| Common Name | Vanillin |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| Canonical SMILES | COc1cc(C=O)ccc1O |
| Standard InCHI | InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| Standard InCHIKey | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL13883]; PubChem [1183]; |
| Reference of Component-Ingredient Pair | 22980836 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1150 | Gynura segetum | Jing Tian San Qi | 景天三七 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
Showing 1 to 10 of 80 entries
Ingredient ID: TCMC2188
Formula: C17H14O7
Ingredient ID: TCMC2188
| Common Name | Tricin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3 |
| Standard InCHIKey | HRGUSFBJBOKSML-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL454320]; PubChem [5281702]; |
| Reference of Component-Ingredient Pair | 22983843 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1435 | Psychotria serpens | Man Jiu Jie | 蔓九节 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
Showing 1 to 10 of 40 entries
Ingredient ID: TCMC2182
Formula: C20H40O
Ingredient ID: TCMC2182
| Common Name | Trans-Phytol |
| IUPAC Name | (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol |
| Canonical SMILES | OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C |
| Standard InCHI | InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1 |
| Standard InCHIKey | BOTWFXYSPFMFNR-PYDDKJGSSA-N |
| External Identifiers | ChEMBL [CHEMBL1644111]; PubChem [5280435]; |
| Reference of Component-Ingredient Pair | 28344896 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1053 | Saponaria officinalis | Jian Hua | 碱花 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
Showing 1 to 10 of 46 entries
Ingredient ID: TCMC2171
Formula: C7H8
Ingredient ID: TCMC2171
| Common Name | Toluene |
| IUPAC Name | toluene |
| Canonical SMILES | Cc1ccccc1 |
| Standard InCHI | InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 |
| Standard InCHIKey | YXFVVABEGXRONW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL9113]; PubChem [1140]; |
| Reference of Component-Ingredient Pair | 29698619 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1804 | Amomum villosum | Sha Ren Ye | 砂仁叶 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC2120
Formula: C17H24O9
Ingredient ID: TCMC2120
| Common Name | Syringin |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol |
| Canonical SMILES | OC/C=C/c1cc(OC)c(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1 |
| Standard InCHIKey | QJVXKWHHAMZTBY-GCPOEHJPSA-N |
| External Identifiers | ChEMBL [CHEMBL250872]; PubChem [5316860]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1154 | Ilex rotunda | Jiu Bi Ying | 救必应 |
| TCMH138 | Syringa reticulata | Bao Ma Zi Pi | 暴马子皮 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
Showing 1 to 10 of 42 entries
Ingredient ID: TCMC2112
Formula: C4H5NO2
Ingredient ID: TCMC2112
| Common Name | Succinimide |
| IUPAC Name | pyrrolidine-2,5-dione |
| Canonical SMILES | OC1=NC(=O)CC1 |
| Standard InCHI | InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7) |
| Standard InCHIKey | KZNICNPSHKQLFF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL275661]; PubChem [11439]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
| TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
| TCMH1774 | Panax notoginseng | San Qi Jing Ye | 三七茎叶 |
| TCMH1776 | Panax notoginseng | San Qi Ye | 三七叶 |
| TCMH1777 | Panax notoginseng | San Qi Ye Jing | 三七叶茎 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2113 | Herba acalyphae | Tie Xian Cai | 铁苋菜 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC2111
Formula: C4H6O4
Ingredient ID: TCMC2111
| Common Name | Succinic Acid |
| IUPAC Name | butanedioic acid |
| Canonical SMILES | OC(=O)CCC(=O)O |
| Standard InCHI | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
| Standard InCHIKey | KDYFGRWQOYBRFD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL576]; PubChem [1110]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
| TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
| TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1122 | Psammosilene tunicoides | Jin Tie Suo | 金铁锁 |
Showing 1 to 10 of 90 entries
Ingredient ID: TCMC2107
Formula: C29H48O
Ingredient ID: TCMC2107
| Common Name | Stigmasterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | HCXVJBMSMIARIN-PHZDYDNGSA-N |
| External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5280794]; |
| Reference of Component-Ingredient Pair | 16261518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 110 entries
Ingredient ID: TCMC2105
Formula: C18H36O2
Ingredient ID: TCMC2105
| Common Name | Stearic Acid |
| IUPAC Name | octadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) |
| Standard InCHIKey | QIQXTHQIDYTFRH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL46403]; PubChem [5281]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 176 entries
Ingredient ID: TCMC2098
Formula: C7H19N3
Ingredient ID: TCMC2098
| Common Name | Spermidine |
| IUPAC Name | N'-(3-aminopropyl)butane-1,4-diamine |
| Canonical SMILES | NCCCNCCCCN |
| Standard InCHI | InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 |
| Standard InCHIKey | ATHGHQPFGPMSJY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL19612]; PubChem [1102]; |
| Reference of Component-Ingredient Pair | 22286908 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1394 | Capparis masaikai | Ma Bing Lang | 马槟榔 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH397 | Glycine max | Dan Dou Gu | 淡豆鼓 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC2048
Formula: C23H28O6
Ingredient ID: TCMC2048
| Common Name | Schisandrin B |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2CC(C)C(C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3 |
| Standard InCHIKey | RTZKSTLPRTWFEV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL479488]; PubChem [108130]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH151 | Rosmarinus officinalis | Bei Wu Wei | 北五味 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC2037
Formula: C7H6O3
Ingredient ID: TCMC2037
| Common Name | Salicylic Acid |
| IUPAC Name | 2-hydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1ccccc1O |
| Standard InCHI | InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) |
| Standard InCHIKey | YGSDEFSMJLZEOE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL424]; PubChem [338]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1160 | Polygonatum sibiricum | Jiu Huang Jing | 酒黄精 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
Showing 1 to 10 of 62 entries
Ingredient ID: TCMC2016
Formula: C17H20N4O6
Ingredient ID: TCMC2016
| Common Name | Riboflavin |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione |
| Canonical SMILES | OC[C@H]([C@H]([C@H](Cn1c2cc(C)c(cc2nc2c1nc(=O)nc2O)C)O)O)O |
| Standard InCHI | InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 |
| Standard InCHIKey | AUNGANRZJHBGPY-SCRDCRAPSA-N |
| External Identifiers | ChEMBL [CHEMBL1534]; PubChem [493570]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1329 | Arillus longan | Long Yan Rou | 龙眼肉 |
| TCMH1339 | Phragmites communis | Lu Gen | 芦根 |
| TCMH1383 | Onobrychis viciifolia | Lv Dou | 绿豆 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1663 | Semen euryales | Qian Shi | 芡实 |
Showing 1 to 10 of 26 entries
Ingredient ID: TCMC2005
Formula: C20H28O
Ingredient ID: TCMC2005
| Common Name | Retinal |
| IUPAC Name | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal |
| Canonical SMILES | O=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C |
| Standard InCHI | InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ |
| Standard InCHIKey | NCYCYZXNIZJOKI-OVSJKPMPSA-N |
| External Identifiers | ChEMBL [CHEMBL81379]; PubChem [638015]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2003
Formula: C14H12O3
Ingredient ID: TCMC2003
| Common Name | Resveratrol |
| IUPAC Name | 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
| Canonical SMILES | Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O |
| Standard InCHI | InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ |
| Standard InCHIKey | LUKBXSAWLPMMSZ-OWOJBTEDSA-N |
| External Identifiers | ChEMBL [CHEMBL165]; PubChem [445154]; |
| Reference of Component-Ingredient Pair | 26766292 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1870 | Belamcanda chinensis | She Gan | 射干 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1982
| Common Name | Quercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
| Standard InCHIKey | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL50]; PubChem [5280343]; |
| Reference of Component-Ingredient Pair | 26766292 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 278 entries
Ingredient ID: TCMC1972
Formula: C5H5N
Ingredient ID: TCMC1972
| Common Name | Pyridine |
| IUPAC Name | pyridine |
| Canonical SMILES | c1cccnc1 |
| Standard InCHI | InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H |
| Standard InCHIKey | JUJWROOIHBZHMG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL266158]; PubChem [1049]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH165 | Ricinus communis | Bi Ma | 蓖麻 |
| TCMH166 | Ricinus communis | Bi Ma Gen | 蓖麻根 |
| TCMH167 | Ricinus communis | Bi Ma Ren | 蓖麻仁 |
| TCMH168 | Ricinus communis | Bi Ma Zi | 蓖麻子 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC1968
Formula: C4H12N2
Ingredient ID: TCMC1968
| Common Name | Putrescine |
| IUPAC Name | butane-1,4-diamine |
| Canonical SMILES | NCCCCN |
| Standard InCHI | InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 |
| Standard InCHIKey | KIDHWZJUCRJVML-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL46257]; PubChem [1045]; |
| Reference of Component-Ingredient Pair | 22286908 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1394 | Capparis masaikai | Ma Bing Lang | 马槟榔 |
| TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC1957
Formula: C20H19NO5
Ingredient ID: TCMC1957
| Common Name | Protopine |
| IUPAC Name | n.a. |
| Canonical SMILES | CN1CCc2cc3OCOc3cc2C(=O)Cc2c(C1)cc1OCOc1c2 |
| Standard InCHI | InChI=1S/C20H19NO5/c1-21-3-2-12-5-17-20(26-11-23-17)8-15(12)16(22)4-13-6-18-19(25-10-24-18)7-14(13)9-21/h5-8H,2-4,9-11H2,1H3 |
| Standard InCHIKey | ZAALQOFZFANFTF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL486179]; PubChem [185559]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1205 | Corydalis bungeana | Ku Di Ding | 苦地丁 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2248 | Corydalis decumbens | Xia Tian Wu | 夏天无 |
| TCMH2339 | Rhizoma corydalis | Xuan Hu | 玄胡 |
| TCMH2376 | Corydalis yanhusuo | Yan Hu Suo | 延胡索 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC1956
Formula: C7H6O4
Ingredient ID: TCMC1956
| Common Name | Protocatechuic Acid |
| IUPAC Name | 3,4-dihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
| Standard InCHIKey | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL37537]; PubChem [72]; |
| Reference of Component-Ingredient Pair | 24685503 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH10 | Blumea balsamifera | Ai Pian | 艾片 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH11 | Blumea balsamifera | Ai Tan | 艾炭 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 194 entries
Ingredient ID: TCMC1892
Formula: C14H12O4
Ingredient ID: TCMC1892
| Common Name | Piceatannol |
| IUPAC Name | 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol |
| Canonical SMILES | Oc1cc(/C=C/c2ccc(c(c2)O)O)cc(c1)O |
| Standard InCHI | InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+ |
| Standard InCHIKey | CDRPUGZCRXZLFL-OWOJBTEDSA-N |
| External Identifiers | ChEMBL [CHEMBL69863]; PubChem [667639]; |
| Reference of Component-Ingredient Pair | 26341291 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2134 | Smilax glabra | Tu Fu Ling | 土茯苓 |
| TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC1839
Formula: C7H6O3
Ingredient ID: TCMC1839
| Common Name | Paraben |
| IUPAC Name | 4-oxoniobenzoate |
| Canonical SMILES | Oc1ccc(cc1)C(=O)O |
| Standard InCHI | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) |
| Standard InCHIKey | FJKROLUGYXJWQN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL441343]; PubChem [3702506]; |
| Reference of Component-Ingredient Pair | 8087979 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
Showing 1 to 10 of 162 entries
Ingredient ID: TCMC1832
Formula: C16H30O2
Ingredient ID: TCMC1832
| Common Name | Palmitoleic Acid |
| IUPAC Name | (Z)-hexadec-9-enoic acid |
| Canonical SMILES | CCCCCC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- |
| Standard InCHIKey | SECPZKHBENQXJG-FPLPWBNLSA-N |
| External Identifiers | ChEMBL [CHEMBL453509]; PubChem [445638]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
Showing 1 to 10 of 80 entries
Ingredient ID: TCMC1830
Formula: C16H32O2
Ingredient ID: TCMC1830
| Common Name | Palmitic Acid |
| IUPAC Name | hexadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) |
| Standard InCHIKey | IPCSVZSSVZVIGE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL82293]; PubChem [985]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
Showing 1 to 10 of 274 entries
Ingredient ID: TCMC1826
Formula: C9H10O3
Ingredient ID: TCMC1826
| Common Name | Paeonol |
| IUPAC Name | 1-(2-hydroxy-4-methoxyphenyl)ethanone |
| Canonical SMILES | COc1ccc(c(c1)O)C(=O)C |
| Standard InCHI | InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3 |
| Standard InCHIKey | UILPJVPSNHJFIK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1079227]; PubChem [11092]; |
| Reference of Component-Ingredient Pair | 21201807 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1469 | Flos mume | Mei Hua | 梅花 |
| TCMH1513 | Paeonia moutan | Mu Dan Pi | 牡丹皮 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
Showing 1 to 10 of 35 entries
Ingredient ID: TCMC1817
Formula: C8H10
Ingredient ID: TCMC1817
| Common Name | O-Xylene |
| IUPAC Name | 1,2-xylene |
| Canonical SMILES | Cc1ccccc1C |
| Standard InCHI | InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3 |
| Standard InCHIKey | CTQNGGLPUBDAKN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL45005]; PubChem [7237]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH2551 | Polygonatum odoratum | Yu Zhu | 玉竹 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1788
Formula: C18H34O2
Ingredient ID: TCMC1788
| Common Name | Oleic Acid |
| IUPAC Name | (Z)-octadec-9-enoic acid |
| Canonical SMILES | CCCCCCCC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- |
| Standard InCHIKey | ZQPPMHVWECSIRJ-KTKRTIGZSA-N |
| External Identifiers | ChEMBL [CHEMBL8659]; PubChem [445639]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 166 entries
Ingredient ID: TCMC1786
Formula: C30H48O3
Ingredient ID: TCMC1786
| Common Name | Oleanolic_Acid |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C |
| Standard InCHI | InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | MIJYXULNPSFWEK-GTOFXWBISA-N |
| External Identifiers | ChEMBL [CHEMBL168]; PubChem [10494]; |
| Reference of Component-Ingredient Pair | 22002744 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1080 | Platycodon grandiflorum | Jie Geng | 桔梗 |
| TCMH1082 | Platycodon grandiflorum | Jie Geng Gan Gao | 桔梗干膏 |
| TCMH1083 | Platycodon grandiflorum | Jie Geng Gan Gao Fen | 桔梗干膏粉 |
| TCMH1084 | Platycodon grandiflorum | Jie Geng Liu Jin Gao | 桔梗流浸膏 |
| TCMH1085 | Platycodon grandiflorum | Jie Geng Liu Zhu Gao | 桔梗流注膏 |
Showing 1 to 10 of 135 entries
Ingredient ID: TCMC1777
Formula: C8H18O
Ingredient ID: TCMC1777
| Common Name | Octanol |
| IUPAC Name | octan-1-ol |
| Canonical SMILES | CCCCCCCCO |
| Standard InCHI | InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 |
| Standard InCHIKey | KBPLFHHGFOOTCA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL26215]; PubChem [957]; |
| Reference of Component-Ingredient Pair | 23084055 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
Showing 1 to 10 of 51 entries
Ingredient ID: TCMC1776
Formula: C8H16O2
Ingredient ID: TCMC1776
| Common Name | Octanoic Acid |
| IUPAC Name | octanoic acid |
| Canonical SMILES | CCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) |
| Standard InCHIKey | WWZKQHOCKIZLMA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL324846]; PubChem [379]; |
| Reference of Component-Ingredient Pair | 22954530 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
Showing 1 to 10 of 49 entries
Ingredient ID: TCMC1741
Formula: C6H5NO2
Ingredient ID: TCMC1741
| Common Name | Niacin |
| IUPAC Name | pyridine-3-carboxylic acid |
| Canonical SMILES | OC(=O)c1cccnc1 |
| Standard InCHI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
| Standard InCHIKey | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL573]; PubChem [938]; |
| Reference of Component-Ingredient Pair | 28437613 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1195 | Oleum aurantii | Ju Zi Xiang Jing | 橘子香精 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1263 | Cyprinus carpio | Li Yu | 鲤鱼 |
| TCMH1316 | Dens draconis | Long Chi | 龙齿 |
| TCMH1381 | Folium camelliae sinensis | Lv Cha | 绿茶 |
| TCMH1420 | Oleum sesami | Ma You | 麻油 |
| TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
Showing 1 to 10 of 56 entries
Ingredient ID: TCMC1738
Formula: C15H26O
Ingredient ID: TCMC1738
| Common Name | Nerolidol |
| IUPAC Name | (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| Canonical SMILES | C=CC(CC/C=C(/CCC=C(C)C)C)(O)C |
| Standard InCHI | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+ |
| Standard InCHIKey | FQTLCLSUCSAZDY-SDNWHVSQSA-N |
| External Identifiers | ChEMBL [CHEMBL25424]; PubChem [5284507]; |
| Reference of Component-Ingredient Pair | 27549180 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1069 | Oleum dalbergiae odoriferae | Jiang Xiang You | 降香油 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 60 entries
Ingredient ID: TCMC1728
Formula: C10H8
Ingredient ID: TCMC1728
| Common Name | Naphthalene |
| IUPAC Name | naphthalene |
| Canonical SMILES | c1ccc2c(c1)cccc2 |
| Standard InCHI | InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H |
| Standard InCHIKey | UFWIBTONFRDIAS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL16293]; PubChem [931]; |
| Reference of Component-Ingredient Pair | 28803881 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC1659
Formula: C20H19NO5
Ingredient ID: TCMC1659
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CN1CCc2cc3OCOc3cc2C(=O)Cc2c(C1)c1OCOc1cc2 |
| Standard InCHI | InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3 |
| Standard InCHIKey | GPTFURBXHJWNHR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL453019]; PubChem [4970]; |
| Reference of Component-Ingredient Pair | 22921420 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1205 | Corydalis bungeana | Ku Di Ding | 苦地丁 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2248 | Corydalis decumbens | Xia Tian Wu | 夏天无 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH2376 | Corydalis yanhusuo | Yan Hu Suo | 延胡索 |
| TCMH2514 | Papaver somniferum | Ying Su | 罂粟 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1611
Formula: C14H28O2
Ingredient ID: TCMC1611
| Common Name | Myristic Acid |
| IUPAC Name | tetradecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) |
| Standard InCHIKey | TUNFSRHWOTWDNC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL111077]; PubChem [11005]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
Showing 1 to 10 of 123 entries
Ingredient ID: TCMC1608
Formula: C10H16
Ingredient ID: TCMC1608
| Common Name | Myrcene |
| IUPAC Name | 7-methyl-3-methylideneocta-1,6-diene |
| Canonical SMILES | C=CC(=C)CCC=C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3 |
| Standard InCHIKey | UAHWPYUMFXYFJY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL455491]; PubChem [31253]; |
| Reference of Component-Ingredient Pair | 22835693 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1114 | Herba glechomae longitubae | Jin Qian Cao | 金钱草 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 151 entries
Ingredient ID: TCMC1607
Formula: C8H10
Ingredient ID: TCMC1607
| Common Name | M-Xylene |
| IUPAC Name | 1,3-xylene |
| Canonical SMILES | Cc1cccc(c1)C |
| Standard InCHI | InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3 |
| Standard InCHIKey | IVSZLXZYQVIEFR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL286727]; PubChem [7929]; |
| Reference of Component-Ingredient Pair | 23084275 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
| TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
Showing 1 to 10 of 26 entries
Ingredient ID: TCMC1594
Formula: C14H10O4
Ingredient ID: TCMC1594
| Common Name | Moracin M |
| IUPAC Name | 5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol |
| Canonical SMILES | Oc1cc(O)cc(c1)c1oc2c(c1)ccc(c2)O |
| Standard InCHI | InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6-12(17)4-9/h1-7,15-17H |
| Standard InCHIKey | LHPRYOJTASOZGJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL512578]; PubChem [185848]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH37 | Smilax china | Ba Qia | 菝葜 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1572
Formula: C10H10O4
Ingredient ID: TCMC1572
| Common Name | Methylcaffeate |
| IUPAC Name | methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | COC(=O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+ |
| Standard InCHIKey | OCNYGKNIVPVPPX-HWKANZROSA-N |
| External Identifiers | ChEMBL [CHEMBL17001]; PubChem [689075]; |
| Reference of Component-Ingredient Pair | 24293730 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1567
Formula: C8H8O4
Ingredient ID: TCMC1567
| Common Name | Methyl Protocatechuate |
| IUPAC Name | methyl 3,4-dihydroxybenzoate |
| Canonical SMILES | COC(=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3 |
| Standard InCHIKey | CUFLZUDASVUNOE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL486027]; PubChem [287064]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH133 | Aconitum naviculare | Bang Ga | 榜嘎 |
| TCMH1498 | Ranunculus ternatus | Mao Zhao Cao | 猫爪草 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH2226 | Stigma croci | Xi Hong Hua | 西红花 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1530
Formula: C6H6O3
Ingredient ID: TCMC1530
| Common Name | Maltol |
| IUPAC Name | 3-hydroxy-2-methylpyran-4-one |
| Canonical SMILES | O=c1ccoc(c1O)C |
| Standard InCHI | InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3 |
| Standard InCHIKey | XPCTZQVDEJYUGT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL31422]; PubChem [8369]; |
| Reference of Component-Ingredient Pair | 22542289 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH1424 | Ophiopogon japonicus | Mai Dong Men | 麦冬门 |
| TCMH1425 | Ophiopogon japonicus | Mai Dong Rou | 麦冬肉 |
| TCMH1428 | Ophiopogon japonicus | Mai Men Dong | 麦门冬 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
| TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
| TCMH1774 | Panax notoginseng | San Qi Jing Ye | 三七茎叶 |
Showing 1 to 10 of 20 entries
Ingredient ID: TCMC1529
Formula: C3H4O4
Ingredient ID: TCMC1529
| Common Name | Malonic Acid |
| IUPAC Name | propanedioic acid |
| Canonical SMILES | OC(=O)CC(=O)O |
| Standard InCHI | InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) |
| Standard InCHIKey | OFOBLEOULBTSOW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL7942]; PubChem [867]; |
| Reference of Component-Ingredient Pair | 22987122 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1073 | Gynostemma pentaphyllum | Jiao Gu Lan | 绞股蓝 |
| TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC1513
Formula: C5H9NO2
Ingredient ID: TCMC1513
| Common Name | L-Proline |
| IUPAC Name | (2S)-pyrrolidine-2-carboxylic acid |
| Canonical SMILES | OC(=O)[C@@H]1CCCN1 |
| Standard InCHI | InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 |
| Standard InCHIKey | ONIBWKKTOPOVIA-BYPYZUCNSA-N |
| External Identifiers | ChEMBL [CHEMBL54922]; PubChem [145742]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1294 | Cornu saigae tataricae | Ling Yang Jiao | 羚羊角 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1332 | Penis cervi | Lu Bian | 鹿鞭 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
Showing 1 to 10 of 44 entries
Ingredient ID: TCMC1496
Formula: C18H30O2
Ingredient ID: TCMC1496
| Common Name | Linolenic Acid |
| IUPAC Name | (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid |
| Canonical SMILES | CC/C=CC/C=CC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- |
| Standard InCHIKey | DTOSIQBPPRVQHS-PDBXOOCHSA-N |
| External Identifiers | ChEMBL [CHEMBL8739]; PubChem [5280934]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Showing 1 to 10 of 132 entries
Ingredient ID: TCMC1495
Formula: C18H32O2
Ingredient ID: TCMC1495
| Common Name | Linoleic Acid |
| IUPAC Name | (9Z,12Z)-octadeca-9,12-dienoic acid |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- |
| Standard InCHIKey | OYHQOLUKZRVURQ-HZJYTTRNSA-N |
| External Identifiers | ChEMBL [CHEMBL267476]; PubChem [5280450]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 216 entries
Ingredient ID: TCMC1429
Formula: C15H10O6
Ingredient ID: TCMC1429
| Common Name | Kaempferol |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H |
| Standard InCHIKey | IYRMWMYZSQPJKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL150]; PubChem [5280863]; |
| Reference of Component-Ingredient Pair | 29162470 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Showing 1 to 10 of 188 entries
Ingredient ID: TCMC1418
Formula: C21H20O10
Ingredient ID: TCMC1418
| Common Name | Isovitexin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1 |
| Standard InCHIKey | MYXNWGACZJSMBT-VJXVFPJBSA-N |
| External Identifiers | ChEMBL [CHEMBL465360]; PubChem [162350]; |
| Reference of Component-Ingredient Pair | 22475010 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1461 | Rubus parvifolius | Mao Mei Gen | 茅莓根 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
Showing 1 to 10 of 44 entries
Ingredient ID: TCMC1323
Formula: C6H12O2
Ingredient ID: TCMC1323
| Common Name | Hexanoate |
| IUPAC Name | hexanoic acid |
| Canonical SMILES | CCCCCC(=O)O |
| Standard InCHI | InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) |
| Standard InCHIKey | FUZZWVXGSFPDMH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14184]; PubChem [8892]; |
| Reference of Component-Ingredient Pair | 28595002 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC1317
Formula: C7H14O2
Ingredient ID: TCMC1317
| Common Name | Heptanoate |
| IUPAC Name | heptanoic acid |
| Canonical SMILES | CCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) |
| Standard InCHIKey | MNWFXJYAOYHMED-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL320358]; PubChem [8094]; |
| Reference of Component-Ingredient Pair | 21977053 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
| TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
| TCMH1774 | Panax notoginseng | San Qi Jing Ye | 三七茎叶 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1315
Formula: C7H14O
Ingredient ID: TCMC1315
| Common Name | Heptanal |
| IUPAC Name | heptanal |
| Canonical SMILES | CCCCCCC=O |
| Standard InCHI | InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 |
| Standard InCHIKey | FXHGMKSSBGDXIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL18104]; PubChem [8130]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 52 entries
Ingredient ID: TCMC1298
Formula: C10H13N5O5
Ingredient ID: TCMC1298
| Common Name | Guanosine |
| IUPAC Name | 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=N)nc2O |
| Standard InCHI | InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 |
| Standard InCHIKey | NYHBQMYGNKIUIF-UUOKFMHZSA-N |
| External Identifiers | ChEMBL [CHEMBL375655]; PubChem [6802]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
Showing 1 to 10 of 56 entries
Ingredient ID: TCMC1294
Formula: C15H18
Ingredient ID: TCMC1294
| Common Name | Guaiazulene |
| IUPAC Name | 1,4-dimethyl-7-propan-2-ylazulene |
| Canonical SMILES | CC(c1ccc(c2c(c1)c(C)cc2)C)C |
| Standard InCHI | InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3 |
| Standard InCHIKey | FWKQNCXZGNBPFD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1408759]; PubChem [3515]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
| TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC1293
Formula: C7H8O2
Ingredient ID: TCMC1293
| Common Name | Guaiacol |
| IUPAC Name | 2-methoxyphenol |
| Canonical SMILES | COc1ccccc1O |
| Standard InCHI | InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 |
| Standard InCHIKey | LHGVFZTZFXWLCP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL13766]; PubChem [460]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC1290
Formula: C18H17NO
Ingredient ID: TCMC1290
| Common Name | Grinimibine |
| IUPAC Name | 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole |
| Canonical SMILES | Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1 |
| Standard InCHI | InChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,19H,1-3H3 |
| Standard InCHIKey | GAEQWKVGMHUUKO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1477760]; PubChem [96943]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1269
Formula: C3H8O3
Ingredient ID: TCMC1269
| Common Name | Glycerin |
| IUPAC Name | propane-1,2,3-triol |
| Canonical SMILES | OCC(CO)O |
| Standard InCHI | InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 |
| Standard InCHIKey | PEDCQBHIVMGVHV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL692]; PubChem [753]; |
| Reference of Component-Ingredient Pair | 22851446 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 10 of 30 entries
Ingredient ID: TCMC1251
Formula: C36H62O8
Ingredient ID: TCMC1251
| Common Name | Ginsenoside Rh2 |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@](CCC=C(C)C)(O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1 |
| Standard InCHIKey | CKUVNOCSBYYHIS-IRFFNABBSA-N |
| External Identifiers | ChEMBL [CHEMBL1783834]; PubChem [119307]; |
| Reference of Component-Ingredient Pair | 29484884 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
| TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
| TCMH1774 | Panax notoginseng | San Qi Jing Ye | 三七茎叶 |
| TCMH1776 | Panax notoginseng | San Qi Ye | 三七叶 |
| TCMH1777 | Panax notoginseng | San Qi Ye Jing | 三七叶茎 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1197
Formula: C5H4O2
Ingredient ID: TCMC1197
| Common Name | Furfural |
| IUPAC Name | furan-2-carbaldehyde |
| Canonical SMILES | O=Cc1ccco1 |
| Standard InCHI | InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H |
| Standard InCHIKey | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL189362]; PubChem [7362]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Showing 1 to 10 of 76 entries
Ingredient ID: TCMC1196
Formula: C7H8O3
Ingredient ID: TCMC1196
| Common Name | Furan-2-Ylmethyl Acetate |
| IUPAC Name | furan-2-ylmethyl acetate |
| Canonical SMILES | CC(=O)OCc1ccco1 |
| Standard InCHI | InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3 |
| Standard InCHIKey | CKOYRRWBOKMNRG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1522321]; PubChem [12170]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2545 | Houttuynia cordata | Yu Xing Cao | 鱼腥草 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC1172
Formula: C15H26O
Ingredient ID: TCMC1172
| Common Name | Farnesol |
| IUPAC Name | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
| Canonical SMILES | OC/C=C(/CC/C=C(/CCC=C(C)C)C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+ |
| Standard InCHIKey | CRDAMVZIKSXKFV-YFVJMOTDSA-N |
| External Identifiers | ChEMBL [CHEMBL25308]; PubChem [445070]; |
| Reference of Component-Ingredient Pair | 26853319 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1236 | Chimonanthus fragrans | La Mei Hua | 腊梅花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
Showing 1 to 10 of 50 entries
Ingredient ID: TCMC1160
Formula: C16H12O7
Ingredient ID: TCMC1160
| Common Name | Eupafolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one |
| Canonical SMILES | COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3 |
| Standard InCHIKey | FHHSEFRSDKWJKJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL172350]; PubChem [5317284]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH197 | Bombyx mori | Can E | 蚕蛾 |
| TCMH200 | Bombyx mori | Can Jian | 蚕茧 |
| TCMH201 | Bombyx mori | Can Sha | 蚕砂 |
| TCMH202 | Bombyx mori | Can Yong | 蚕蛹 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC1159
Formula: C10H12O2
Ingredient ID: TCMC1159
| Common Name | Eugenol |
| IUPAC Name | 2-methoxy-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 |
| Standard InCHIKey | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL42710]; PubChem [3314]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
Showing 1 to 10 of 140 entries
Ingredient ID: TCMC112
Formula: C15H20O4
Ingredient ID: TCMC112
| Common Name | (3S,3As,5Ar,9R,9As,9Bs)-9-Hydroxy-3,5A,9-Trimethyl-3,3A,4,5,9A,9B-Hexahydrobenzo[G][1]Benzofuran-2,6-Dione |
| IUPAC Name | (3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g][1]benzofuran-2,6-dione |
| Canonical SMILES | C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@](C)(O)C=CC1=O)C |
| Standard InCHI | InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1 |
| Standard InCHIKey | NGPDZEACIWDCKX-WUDKWMPASA-N |
| External Identifiers | ChEMBL [CHEMBL1422618]; PubChem [94253]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
| TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
| TCMH525 | Eucommia ulmoides | Du Zhong Tan | 杜仲炭 |
| TCMH526 | Eucommia ulmoides | Du Zhong Ye | 杜仲叶 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1100
Formula: C20H40O2
Ingredient ID: TCMC1100
| Common Name | Elcosanoic Acid |
| IUPAC Name | icosanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22) |
| Standard InCHIKey | VKOBVWXKNCXXDE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1173381]; PubChem [10467]; |
| Reference of Component-Ingredient Pair | 29968805 |