Description of the Component
Component ID |
TCMH1009 |
Latin Name |
Pogostemon cablin |
English Name |
Patchouli |
Chinese Pinyin Name |
Huo Xiang Ye |
中文名 |
藿香叶 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
ITSAJ4146-14 |
Barcode Source |
BOLDSYSTEMS |
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 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
Showing 1 to 10 of 172 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 53 entries
Ingredient Structrues
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: TCMC994
Formula: C4H7NO4
Ingredient ID: TCMC994
| Common Name | D-Aspartate |
| IUPAC Name | (2R)-2-aminobutanedioic acid |
| Canonical SMILES | OC(=O)C[C@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1 |
| Standard InCHIKey | CKLJMWTZIZZHCS-UWTATZPHSA-N |
| External Identifiers | ChEMBL [CHEMBL29757]; PubChem [83887]; |
| Reference of Component-Ingredient Pair | 22466305 |
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 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 24 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: TCMC915
Formula: C9H8O
Ingredient ID: TCMC915
| Common Name | Cinnamaldehyde |
| IUPAC Name | (E)-3-phenylprop-2-enal |
| Canonical SMILES | O=C/C=C/c1ccccc1 |
| Standard InCHI | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ |
| Standard InCHIKey | KJPRLNWUNMBNBZ-QPJJXVBHSA-N |
| External Identifiers | ChEMBL [CHEMBL293492]; PubChem [637511]; |
| Reference of Component-Ingredient Pair | 29267982 |
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 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1507 | Commiphora myrrha | Mo Xiang | 没香 |
| TCMH1508 | Commiphora myrrha | Mo Yao | 没药 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 35 entries
Ingredient ID: TCMC897
Formula: C16H18O9
Ingredient ID: TCMC897
| Common Name | Chlorogenic Acid |
| IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| Standard InCHIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
| External Identifiers | ChEMBL [CHEMBL284616]; PubChem [1794427]; |
| Reference of Component-Ingredient Pair | 29136249 |
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 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 197 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: TCMC83
Formula: C8H8O3
Ingredient ID: TCMC83
| Common Name | (2S)-2-Hydroxy-2-Phenylacetic Acid |
| IUPAC Name | (2S)-2-hydroxy-2-phenylacetic acid |
| Canonical SMILES | O[C@@H](c1ccccc1)C(=O)O |
| Standard InCHI | InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1 |
| Standard InCHIKey | IWYDHOAUDWTVEP-ZETCQYMHSA-N |
| External Identifiers | ChEMBL [CHEMBL58910]; PubChem [439616]; |
| 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 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC817
Formula: C16H22O4
Ingredient ID: TCMC817
| Common Name | Bis(2-Methylpropyl) Benzene-1,2-Dicarboxylate |
| IUPAC Name | bis(2-methylpropyl) benzene-1,2-dicarboxylate |
| Canonical SMILES | CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C |
| Standard InCHI | InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3 |
| Standard InCHIKey | MGWAVDBGNNKXQV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1370662]; PubChem [6782]; |
| Reference of Component-Ingredient Pair | 29061543 |
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 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| 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 |
Showing 1 to 10 of 57 entries
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: TCMC792
Formula: C3H7NO2
Ingredient ID: TCMC792
| Common Name | Beta-Alanine |
| IUPAC Name | 3-azaniumylpropanoate |
| Canonical SMILES | NCCC(=O)O |
| Standard InCHI | InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) |
| Standard InCHIKey | UCMIRNVEIXFBKS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL297569]; PubChem [4755801]; |
| 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 |
| TCMH1697 | Iris tectorum | Qing Wa Qi | 青蛙七 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC774
Formula: C7H8O
Ingredient ID: TCMC774
| Common Name | Benzyl Alcohol |
| IUPAC Name | phenylmethanol |
| Canonical SMILES | OCc1ccccc1 |
| Standard InCHI | InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| Standard InCHIKey | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL720]; PubChem [244]; |
| Reference of Component-Ingredient Pair | 22999809 |
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 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 51 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: TCMC736
Formula: C9H8O4
Ingredient ID: TCMC736
| Common Name | Aspirin |
| IUPAC Name | 2-acetyloxybenzoic acid |
| Canonical SMILES | CC(=O)Oc1ccccc1C(=O)O |
| Standard InCHI | InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) |
| Standard InCHIKey | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL25]; PubChem [2244]; |
| Reference of Component-Ingredient Pair | 27485346 |
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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC734
Formula: C4H7NO4
Ingredient ID: TCMC734
| Common Name | Aspartic Acid |
| IUPAC Name | (2S)-2-aminobutanedioic acid |
| Canonical SMILES | OC(=O)C[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 |
| Standard InCHIKey | CKLJMWTZIZZHCS-REOHCLBHSA-N |
| External Identifiers | ChEMBL [CHEMBL274323]; PubChem [5960]; |
| 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 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC710
Formula: C15H10O5
Ingredient ID: TCMC710
| Common Name | Apigenin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H |
| Standard InCHIKey | KZNIFHPLKGYRTM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL28]; PubChem [5280443]; |
| Reference of Component-Ingredient Pair | 29162470 |
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 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 159 entries
Ingredient ID: TCMC696
Formula: C10H12O
Ingredient ID: TCMC696
| Common Name | Anethole |
| IUPAC Name | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| Canonical SMILES | C/C=C/c1ccc(cc1)OC |
| Standard InCHI | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+ |
| Standard InCHIKey | RUVINXPYWBROJD-ONEGZZNKSA-N |
| External Identifiers | ChEMBL [CHEMBL452630]; PubChem [637563]; |
| 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 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1374 | Ocimum basilicum | Luo Le | 罗勒 |
Showing 1 to 10 of 48 entries
Ingredient ID: TCMC69
Formula: C4H6O5
Ingredient ID: TCMC69
| Common Name | (2R)-2-Hydroxybutanedioic Acid |
| IUPAC Name | (2R)-2-hydroxybutanedioic acid |
| Canonical SMILES | OC(=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)/t2-/m1/s1 |
| Standard InCHIKey | BJEPYKJPYRNKOW-UWTATZPHSA-N |
| External Identifiers | ChEMBL [CHEMBL225986]; PubChem [92824]; |
| 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 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1661 | Rhizoma homalomenae occultae | Qian Nian Jian | 千年健 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC650
Formula: C6H14O6
Ingredient ID: TCMC650
| Common Name | Alexitol Sodium |
| IUPAC Name | hexane-1,2,3,4,5,6-hexol |
| Canonical SMILES | OCC(C(C(C(CO)O)O)O)O |
| Standard InCHI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 |
| Standard InCHIKey | FBPFZTCFMRRESA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL16105]; PubChem [453]; |
| Reference of Component-Ingredient Pair | 22841888 |
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 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1226 | Laminaria japonica | Kun Bu | 昆布 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH1615 | Eriobotrya japonica | Pi Ba Ren | 枇杷仁 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
Showing 1 to 10 of 24 entries
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: TCMC614
Formula: C29H36O15
Ingredient ID: TCMC614
| Common Name | Acetoside |
| IUPAC Name | [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1 |
| Standard InCHIKey | FBSKJMQYURKNSU-ZLSOWSIRSA-N |
| External Identifiers | ChEMBL [CHEMBL444478]; PubChem [5281800]; |
| Reference of Component-Ingredient Pair | 22723176 |
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 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1393 | Verbena officinalis | Ma Bian Cao | 马鞭草 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1487 | Buddleja officinalis | Mi Meng Hua | 密蒙花 |
| TCMH1571 | Daphniphyllum calycinum | Niu Er Feng | 牛耳枫 |
Showing 1 to 10 of 38 entries
Ingredient ID: TCMC611
Formula: C3H6O2
Ingredient ID: TCMC611
| Common Name | Acetic Acid Methyl Ester |
| IUPAC Name | methyl acetate |
| Canonical SMILES | COC(=O)C |
| Standard InCHI | InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3 |
| Standard InCHIKey | KXKVLQRXCPHEJC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14079]; PubChem [6584]; |
| Reference of Component-Ingredient Pair | 22513256 |
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 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC606
Formula: C16H12O5
Ingredient ID: TCMC606
| Common Name | Acacetin |
| IUPAC Name | 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3 |
| Standard InCHIKey | DANYIYRPLHHOCZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL243664]; PubChem [5280442]; |
| Reference of Component-Ingredient Pair | 25455453 |
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 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1487 | Buddleja officinalis | Mi Meng Hua | 密蒙花 |
| TCMH1571 | Daphniphyllum calycinum | Niu Er Feng | 牛耳枫 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC553
Formula: C6H6O3
Ingredient ID: TCMC553
| Common Name | 5-Hydroxymethyl-Furfural |
| IUPAC Name | 5-(hydroxymethyl)furan-2-carbaldehyde |
| Canonical SMILES | OCc1ccc(o1)C=O |
| Standard InCHI | InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 |
| Standard InCHIKey | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL185885]; PubChem [237332]; |
| Reference of Component-Ingredient Pair | 22953879 |
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 |
| TCMH1160 | Polygonatum sibiricum | Jiu Huang Jing | 酒黄精 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| 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 |
Showing 1 to 10 of 90 entries
Ingredient ID: TCMC485
Formula: C4H6N4O
Ingredient ID: TCMC485
| Common Name | 4-Amino-1H-Imidazole-5-Carboxamide |
| IUPAC Name | 4-amino-1H-imidazole-5-carboxamide |
| Canonical SMILES | Nc1c(nc[nH]1)C(=N)O |
| Standard InCHI | InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) |
| Standard InCHIKey | DVNYTAVYBRSTGK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1610]; PubChem [9679]; |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC474
Formula: C9H13NO2
Ingredient ID: TCMC474
| Common Name | 4-[(1R)-1-Hydroxy-2-(Methylamino)Ethyl]Phenol |
| IUPAC Name | 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol |
| Canonical SMILES | CNC[C@@H](c1ccc(cc1)O)O |
| Standard InCHI | InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1 |
| Standard InCHIKey | YRCWQPVGYLYSOX-VIFPVBQESA-N |
| External Identifiers | ChEMBL [CHEMBL443893]; PubChem [854067]; |
| Reference of Component-Ingredient Pair | 20399443 |
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 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC374
Formula: C9H10O5
Ingredient ID: TCMC374
| Common Name | 2-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)Acetic Acid |
| IUPAC Name | 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid |
| Canonical SMILES | COc1cc(ccc1O)C(C(=O)O)O |
| Standard InCHI | InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) |
| Standard InCHIKey | CGQCWMIAEPEHNQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1256396]; PubChem [1245]; |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC317
Formula: C3H6O3
Ingredient ID: TCMC317
| Common Name | 2,3-Dihydroxypropanal |
| IUPAC Name | 2,3-dihydroxypropanal |
| Canonical SMILES | OC(C=O)CO |
| Standard InCHI | InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2 |
| Standard InCHIKey | MNQZXJOMYWMBOU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL173813]; PubChem [751]; |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 7 of 7 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: TCMC2806
Formula: C13H12O4
Ingredient ID: TCMC2806
| Common Name | 5-Acetonyl-7-Hydroxy-2-Methylchromone |
| IUPAC Name | 7-hydroxy-2-methyl-5-(2-oxopropyl)chromen-4-one |
| Canonical SMILES | CC(=O)Cc1cc(O)cc2c1c(=O)cc(o2)C |
| Standard InCHI | InChI=1S/C13H12O4/c1-7(14)3-9-5-10(15)6-12-13(9)11(16)4-8(2)17-12/h4-6,15H,3H2,1-2H3 |
| Standard InCHIKey | YMCXDPKFRCHLPK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL457049]; PubChem [5319500]; |
| Reference of Component-Ingredient Pair | 18524594 |
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 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH498 | Benincasa hispida | Dong Gua Pi | 冬瓜皮 |
| TCMH500 | Benincasa hispida | Dong Gua Zi | 冬瓜子 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC280
Formula: C10H12O
Ingredient ID: TCMC280
| Common Name | 1-Methoxy-4-[(Z)-Prop-1-Enyl]Benzene |
| IUPAC Name | 1-methoxy-4-[(Z)-prop-1-enyl]benzene |
| Canonical SMILES | C/C=Cc1ccc(cc1)OC |
| Standard InCHI | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3- |
| Standard InCHIKey | RUVINXPYWBROJD-ARJAWSKDSA-N |
| External Identifiers | ChEMBL [CHEMBL1468832]; PubChem [1549040]; |
| 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 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1374 | Ocimum basilicum | Luo Le | 罗勒 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
Showing 1 to 10 of 48 entries
Ingredient ID: TCMC2594
Formula: C6H13NO2
Ingredient ID: TCMC2594
| Common Name | Leucine |
| IUPAC Name | (2S)-2-azaniumyl-4-methylpentanoate |
| Canonical SMILES | N[C@H](C(=O)O)CC(C)C |
| Standard InCHI | InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 |
| Standard InCHIKey | ROHFNLRQFUQHCH-YFKPBYRVSA-N |
| External Identifiers | ChEMBL [CHEMBL291962]; PubChem [7045798;6106]; |
| 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 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH312 | Sedum sarmentosum | Chui Pen Cao | 垂盆草 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC2526
Formula: C3H7NO2
Ingredient ID: TCMC2526
| Common Name | Alanine |
| IUPAC Name | 2-aminopropanoic acid |
| Canonical SMILES | CC(C(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) |
| Standard InCHIKey | QNAYBMKLOCPYGJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL12198]; PubChem [602;57383916]; |
| 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 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| 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 |
| 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 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC2411
Formula: C30H48O3
Ingredient ID: TCMC2411
| Common Name | Epi-Oleanolic Acid |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10R,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-KDQGZELNSA-N |
| External Identifiers | ChEMBL [CHEMBL486382]; PubChem [11869658]; |
| Reference of Component-Ingredient Pair | 25172756 |
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 |
| 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 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
Showing 1 to 10 of 33 entries
Ingredient ID: TCMC2408
Formula: C5H11NO2
Ingredient ID: TCMC2408
| Common Name | Valine |
| IUPAC Name | (2S)-2-azaniumyl-3-methylbutanoate |
| Canonical SMILES | N[C@H](C(=O)O)C(C)C |
| Standard InCHI | InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 |
| Standard InCHIKey | KZSNJWFQEVHDMF-BYPYZUCNSA-N |
| External Identifiers | ChEMBL [CHEMBL43068]; PubChem [6971018;6287;8873350]; |
| 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 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC2366
Formula: C15H24O
Ingredient ID: TCMC2366
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C=C1CC[C@@H]2O[C@@]2(CC[C@@H]2[C@@H]1CC2(C)C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1 |
| Standard InCHIKey | NVEQFIOZRFFVFW-GUIRCDHDSA-N |
| External Identifiers | ChEMBL [CHEMBL399036]; PubChem [1742211]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| 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 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
Showing 1 to 10 of 71 entries
Ingredient ID: TCMC2289
Formula: C29H34O15
Ingredient ID: TCMC2289
| Common Name | Isocrenatoside |
| IUPAC Name | [(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | O=C(OC[C@H]1O[C@H]2OC[C@@H](O[C@@H]2[C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C29H34O15/c1-12-22(35)24(37)25(38)28(41-12)44-26-23(36)20(11-39-21(34)7-3-13-2-5-15(30)17(32)8-13)43-29-27(26)42-19(10-40-29)14-4-6-16(31)18(33)9-14/h2-9,12,19-20,22-33,35-38H,10-11H2,1H3/b7-3+/t12-,19+,20+,22-,23+,24+,25+,26-,27+,28-,29+/m0/s1 |
| Standard InCHIKey | FYNJOHBQQZWZTB-WLLRULDYSA-N |
| External Identifiers | ChEMBL [CHEMBL402471]; PubChem [44559534]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2277
Formula: C29H34O15
Ingredient ID: TCMC2277
| Common Name | Crenatoside |
| IUPAC Name | [(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@H]2OC[C@@H](O[C@@H]2[C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C29H34O15/c1-12-22(36)23(37)24(38)28(40-12)44-26-25(43-21(35)7-3-13-2-5-15(31)17(33)8-13)19(10-30)42-29-27(26)41-20(11-39-29)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-34,36-38H,10-11H2,1H3/b7-3+/t12-,19+,20+,22-,23+,24+,25+,26-,27+,28-,29+/m0/s1 |
| Standard InCHIKey | FPOYEEKZOOLVJA-WLLRULDYSA-N |
| External Identifiers | ChEMBL [CHEMBL451273]; PubChem [44593361]; |
| 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 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH240 | Plantago depressa | Che Qian Cao | 车前草 |
| TCMH241 | Plantago asiatica | Che Qian Zi | 车前子 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC2257
Formula: C16H12O6
Ingredient ID: TCMC2257
| Common Name | Rhamnocitrin |
| IUPAC Name | 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3 |
| Standard InCHIKey | MQSZRBPYXNEFHF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL442289]; PubChem [5320946]; |
| Reference of Component-Ingredient Pair | 24685503 |
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 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1697 | Iris tectorum | Qing Wa Qi | 青蛙七 |
| TCMH1810 | Semen astragali complanati | Sha Yuan Ji Li | 沙苑蒺藜 |
| TCMH1811 | Semen astragali complanati | Sha Yuan Zi | 沙苑子 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH1870 | Belamcanda chinensis | She Gan | 射干 |
| TCMH1930 | Umbilicaria esculenta | Shi Er | 石耳 |
| TCMH2121 | Semen astragali complanati | Tong Ji Li | 潼蒺藜 |
Showing 1 to 10 of 37 entries
Ingredient ID: TCMC2222
Formula: C8H8O4
Ingredient ID: TCMC2222
| Common Name | Vanillic Acid |
| IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
| Canonical SMILES | COc1cc(ccc1O)C(=O)O |
| Standard InCHI | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
| Standard InCHIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL120568]; PubChem [8468]; |
| Reference of Component-Ingredient Pair | 23800587 |
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 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| 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 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC2167
Formula: C22H22O10
Ingredient ID: TCMC2167
| Common Name | Tilianine |
| IUPAC Name | 5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1 |
| Standard InCHIKey | NLZCOTZRUWYPTP-MIUGBVLSSA-N |
| External Identifiers | ChEMBL [CHEMBL487018]; PubChem [5321954]; |
| Reference of Component-Ingredient Pair | 23019878 |
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 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2244 | Prunella vulgaris | Xia Ku Cao | 夏枯草 |
| TCMH2452 | Chrysanthemum indicum | Ye Ju Hua | 野菊花 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
| TCMH780 | Lygodium japonicum | Hai Jin Sha | 海金砂 |
| TCMH781 | Lygodium japonicum | Hai Jin Sha Cao | 海金沙草 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC2131
Formula: C4H6O6
Ingredient ID: TCMC2131
| Common Name | Tartrate |
| IUPAC Name | (2R,3R)-2,3-dihydroxybutanedioic acid |
| Canonical SMILES | O[C@H]([C@H](C(=O)O)O)C(=O)O |
| Standard InCHI | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 |
| Standard InCHIKey | FEWJPZIEWOKRBE-JCYAYHJZSA-N |
| External Identifiers | ChEMBL [CHEMBL1236315]; PubChem [444305]; |
| Reference of Component-Ingredient Pair | 22531183 |
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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1834 | Vitex quinata | Shan Mu Jing | 山牡荆 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC2130
Formula: C4H6O6
Ingredient ID: TCMC2130
| Common Name | Tartaric Acid |
| IUPAC Name | (2S,3S)-2,3-dihydroxybutanedioic acid |
| Canonical SMILES | O[C@@H]([C@@H](C(=O)O)O)C(=O)O |
| Standard InCHI | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1 |
| Standard InCHIKey | FEWJPZIEWOKRBE-LWMBPPNESA-N |
| External Identifiers | ChEMBL [CHEMBL1200861]; PubChem [439655]; |
| Reference of Component-Ingredient Pair | 21151879 |
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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
| TCMH2192 | Prunus mume | Wu Mei Rou | 乌梅肉 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
Showing 1 to 10 of 13 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: 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: TCMC2100
Formula: C18H37NO2
Ingredient ID: TCMC2100
| Common Name | Sphingosine |
| IUPAC Name | (E,2S,3R)-2-aminooctadec-4-ene-1,3-diol |
| Canonical SMILES | CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O |
| Standard InCHI | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1 |
| Standard InCHIKey | WWUZIQQURGPMPG-KRWOKUGFSA-N |
| External Identifiers | ChEMBL [CHEMBL67166]; PubChem [5280335]; |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2062
Formula: C3H7NO3
Ingredient ID: TCMC2062
| Common Name | Serine |
| IUPAC Name | (2S)-2-azaniumyl-3-hydroxypropanoate |
| Canonical SMILES | OC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 |
| Standard InCHIKey | MTCFGRXMJLQNBG-REOHCLBHSA-N |
| External Identifiers | ChEMBL [CHEMBL11298]; PubChem [6857581]; |
| Reference of Component-Ingredient Pair | 21979954 |
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 |
| 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 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
Showing 1 to 10 of 28 entries
Ingredient ID: TCMC2013
Formula: C16H12O7
Ingredient ID: TCMC2013
| Common Name | Rhamnetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3 |
| Standard InCHIKey | JGUZGNYPMHHYRK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL312163]; PubChem [5281691]; |
| Reference of Component-Ingredient Pair | 22215188 |
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 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
| TCMH2531 | Coptis chinensis | Yu Huang Lian | 萸黄连 |
| TCMH2580 | Coptis chinensis | Ze Xi Huang Lian | 择细黄连 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC2010
Formula: C19H18O7
Ingredient ID: TCMC2010
| Common Name | Retusin |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3 |
| Standard InCHIKey | HHGPYJLEJGNWJA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL77966]; PubChem [5352005]; |
| Reference of Component-Ingredient Pair | 22647223 |
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 |
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2267 | Periploca sepium | Xiang Jia Pi | 香加皮 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 7 of 7 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: TCMC1978
Formula: C5H7NO3
Ingredient ID: TCMC1978
| Common Name | Pyroglutamic Acid |
| IUPAC Name | (2S)-5-oxopyrrolidine-2-carboxylic acid |
| Canonical SMILES | OC(=O)[C@@H]1CCC(=N1)O |
| Standard InCHI | InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 |
| Standard InCHIKey | ODHCTXKNWHHXJC-VKHMYHEASA-N |
| External Identifiers | ChEMBL [CHEMBL397976]; PubChem [7405]; |
| 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 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1678 | Indigo naturalis | Qing Dai | 青黛 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 10 of 10 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: 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: TCMC1867
Formula: C14H10
Ingredient ID: TCMC1867
| Common Name | Phenanthrene |
| IUPAC Name | phenanthrene |
| Canonical SMILES | c1ccc2c(c1)c1ccccc1cc2 |
| Standard InCHI | InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H |
| Standard InCHIKey | YNPNZTXNASCQKK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL46730]; PubChem [995]; |
| Reference of Component-Ingredient Pair | 28927721 |
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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2315 | Arnebia euchroma | Xin Jiang Zi Cao | 新疆紫草 |
| TCMH2429 | Bletilla striata | Yang Jiao Qi | 羊角七 |
| TCMH2506 | Ginkgo biloba | Yin Xing Ye | 银杏叶 |
| TCMH2706 | Lithospermum erythrorhizon | Zi Cao | 紫草 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
Showing 1 to 10 of 15 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: 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: TCMC1823
Formula: C19H12O6
Ingredient ID: TCMC1823
| Common Name | Pachyrrizine |
| IUPAC Name | 6-(6-methoxy-1,3-benzodioxol-5-yl)furo[3,2-g]chromen-7-one |
| Canonical SMILES | COc1cc2OCOc2cc1c1cc2cc3ccoc3cc2oc1=O |
| Standard InCHI | InChI=1S/C19H12O6/c1-21-16-8-18-17(23-9-24-18)6-12(16)13-5-11-4-10-2-3-22-14(10)7-15(11)25-19(13)20/h2-8H,9H2,1H3 |
| Standard InCHIKey | PENSQRMNZZWMGV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL479689]; PubChem [101277]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC182
Formula: C9H8O4
Ingredient ID: TCMC182
| Common Name | (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid |
| IUPAC Name | (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=Cc1ccc(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-RQOWECAXSA-N |
| External Identifiers | ChEMBL [CHEMBL1320034]; PubChem [1549111]; |
| 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 |
| 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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
Showing 1 to 10 of 154 entries
Ingredient ID: TCMC1808
Formula: C9H13NO2
Ingredient ID: TCMC1808
| Common Name | Oxedrine |
| IUPAC Name | 4-[1-hydroxy-2-(methylamino)ethyl]phenol |
| Canonical SMILES | CNCC(c1ccc(cc1)O)O |
| Standard InCHI | InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 |
| Standard InCHIKey | YRCWQPVGYLYSOX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL33720]; PubChem [7172]; |
| 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 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| 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 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
Showing 1 to 10 of 20 entries
Ingredient ID: TCMC1791
Formula: C17H14O7
Ingredient ID: TCMC1791
| Common Name | Ombuine |
| IUPAC Name | 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)OC |
| Standard InCHI | InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3 |
| Standard InCHIKey | BWORNNDZQGOKBY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL75589]; PubChem [5320287]; |
| Reference of Component-Ingredient Pair | 24853321 |
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 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1804 | Amomum villosum | Sha Ren Ye | 砂仁叶 |
| TCMH2044 | Caesalpinia sappan | Su Mu | 苏木 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
| TCMH525 | Eucommia ulmoides | Du Zhong Tan | 杜仲炭 |
Showing 1 to 10 of 12 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: TCMC1765
Formula: C16H13N
Ingredient ID: TCMC1765
| Common Name | N-Phenylnaphthalen-1-Amine |
| IUPAC Name | N-phenylnaphthalen-1-amine |
| Canonical SMILES | c1ccc(cc1)Nc1cccc2c1cccc2 |
| Standard InCHI | InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H |
| Standard InCHIKey | XQVWYOYUZDUNRW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL170408]; PubChem [7013]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1751
Formula: C9H20
Ingredient ID: TCMC1751
| Common Name | Nonane |
| IUPAC Name | nonane |
| Canonical SMILES | CCCCCCCCC |
| Standard InCHI | InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3 |
| Standard InCHIKey | BKIMMITUMNQMOS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL335900]; PubChem [8141]; |
| Reference of Component-Ingredient Pair | 28003437 |
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 |
| TCMH1462 | Moschus moschiferus | Mao She Xiang | 毛麝香 |
| TCMH1463 | Moschus moschiferus | Mao She Xiang Jin Gao | 毛麝香浸膏 |
| TCMH1495 | Gossypium herbaceum | Mian Hua Gen | 棉花根 |
| TCMH1717 | Moschus moschiferus | Ren Gong She Xiang | 人工麝香 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1880 | Moschus moschiferus | She Xiang | 麝香 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC1712
Formula: C15H24O
Ingredient ID: TCMC1712
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C=C1CC[C@@H]2O[C@@]2(CC[C@@H]2[C@H]1CC2(C)C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1 |
| Standard InCHIKey | NVEQFIOZRFFVFW-SFDCQRBFSA-N |
| External Identifiers | ChEMBL [CHEMBL1513806]; PubChem [6604672]; |
| 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 |
| 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 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
Showing 1 to 10 of 74 entries
Ingredient ID: TCMC1581
Formula: C4H6O4
Ingredient ID: TCMC1581
| Common Name | Methylmalonic Acid |
| IUPAC Name | 2-methylpropanedioic acid |
| Canonical SMILES | CC(C(=O)O)C(=O)O |
| Standard InCHI | InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) |
| Standard InCHIKey | ZIYVHBGGAOATLY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1232416]; PubChem [487]; |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1565
Formula: C31H50O3
Ingredient ID: TCMC1565
| Common Name | Methyl Oleanolate |
| IUPAC Name | methyl (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-carboxylate |
| Canonical SMILES | COC(=O)[C@@]12CCC(C[C@H]2C2=CC[C@H]3[C@@]([C@@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)(C)C |
| Standard InCHI | InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1 |
| Standard InCHIKey | BTXWOKJOAGWCSN-JBYJGCOVSA-N |
| External Identifiers | ChEMBL [CHEMBL487412]; PubChem [92900]; |
| Reference of Component-Ingredient Pair | 22228961 |
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 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2244 | Prunella vulgaris | Xia Ku Cao | 夏枯草 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1540
Formula: C6H10O5
Ingredient ID: TCMC1540
| Common Name | Meglutol |
| IUPAC Name | 3-hydroxy-3-methylpentanedioic acid |
| Canonical SMILES | OC(=O)CC(CC(=O)O)(O)C |
| Standard InCHI | InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) |
| Standard InCHIKey | NPOAOTPXWNWTSH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL50444]; PubChem [1662]; |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1535
Formula: C6H14O6
Ingredient ID: TCMC1535
| Common Name | Mannitol |
| IUPAC Name | (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol |
| Canonical SMILES | OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| Standard InCHI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| Standard InCHIKey | FBPFZTCFMRRESA-KVTDHHQDSA-N |
| External Identifiers | ChEMBL [CHEMBL689]; PubChem [6251]; |
| 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 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1226 | Laminaria japonica | Kun Bu | 昆布 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1532
Formula: C8H8O3
Ingredient ID: TCMC1532
| Common Name | Mandelic Acid |
| IUPAC Name | 2-hydroxy-2-phenylacetic acid |
| Canonical SMILES | OC(c1ccccc1)C(=O)O |
| Standard InCHI | InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11) |
| Standard InCHIKey | IWYDHOAUDWTVEP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1609]; PubChem [1292]; |
| 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 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 8 of 8 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: TCMC1528
Formula: C4H4O4
Ingredient ID: TCMC1528
| Common Name | Maleic Acid |
| IUPAC Name | (Z)-but-2-enedioic acid |
| Canonical SMILES | OC(=O)/C=CC(=O)O |
| Standard InCHI | InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1- |
| Standard InCHIKey | VZCYOOQTPOCHFL-UPHRSURJSA-N |
| External Identifiers | ChEMBL [CHEMBL539648]; PubChem [444266]; |
| 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 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
| TCMH230 | Bupleurum chinense | Chai Hu Shao | 柴胡梢 |
| TCMH2407 | Bupleurum chinense | Yan Tai Chai Hu | 烟台柴胡 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC1516
Formula: C15H10O6
Ingredient ID: TCMC1516
| Common Name | Luteolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H |
| Standard InCHIKey | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL151]; PubChem [5280445]; |
| Reference of Component-Ingredient Pair | 23122135 |
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 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 140 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: 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: TCMC1482
Formula: C21H22O4
Ingredient ID: TCMC1482
| Common Name | Licoagrochacone A |
| IUPAC Name | (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one |
| Canonical SMILES | C=CC(c1cc(/C=C/C(=O)c2ccc(cc2)O)c(cc1O)OC)(C)C |
| Standard InCHI | InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ |
| Standard InCHIKey | KAZSKMJFUPEHHW-DHZHZOJOSA-N |
| External Identifiers | ChEMBL [CHEMBL139702]; PubChem [5318998]; |
| 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 |
| 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 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH469 | Spatholobus suberectus | Dian Ji Xue Teng Gao Fen | 滇鸡血藤膏粉 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC1479
Formula: C6H12O5
Ingredient ID: TCMC1479
| Common Name | L-Fucose |
| IUPAC Name | (3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol |
| Canonical SMILES | O[C@@H]1[C@H](C)OC([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-DHVFOXMCSA-N |
| External Identifiers | ChEMBL [CHEMBL469449]; PubChem [17106]; |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2309 | Allium macrostemon | Xie Bai | 薤白 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
| TCMH793 | Holothuria leucospilota | Hai Shen | 海参 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1459
Formula: C3H7NO2
Ingredient ID: TCMC1459
| Common Name | L-Alanine |
| IUPAC Name | (2S)-2-aminopropanoic acid |
| Canonical SMILES | C[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 |
| Standard InCHIKey | QNAYBMKLOCPYGJ-REOHCLBHSA-N |
| External Identifiers | ChEMBL [CHEMBL279597]; PubChem [5950]; |
| 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 |
| 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 |
Showing 1 to 10 of 48 entries
Ingredient ID: TCMC1458
Formula: C12H22O11
Ingredient ID: TCMC1458
| Common Name | Lactose, Anhydrous |
| IUPAC Name | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-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-DCSYEGIMSA-N |
| External Identifiers | ChEMBL [CHEMBL417016]; PubChem [6134]; |
| Reference of Component-Ingredient Pair | 22982333 |
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 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
| TCMH230 | Bupleurum chinense | Chai Hu Shao | 柴胡梢 |
| TCMH2407 | Bupleurum chinense | Yan Tai Chai Hu | 烟台柴胡 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1457
Formula: C3H6O3
Ingredient ID: TCMC1457
| Common Name | Lactic Acid |
| IUPAC Name | 2-hydroxypropanoic acid |
| Canonical SMILES | OC(=O)C(O)C |
| Standard InCHI | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) |
| Standard InCHIKey | JVTAAEKCZFNVCJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1200559]; PubChem [612]; |
| 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 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
| TCMH2192 | Prunus mume | Wu Mei Rou | 乌梅肉 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
| TCMH93 | Prunus mume | Bai Mei Hua | 白梅花 |
Showing 1 to 10 of 10 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: TCMC1378
Formula: C29H36O15
Ingredient ID: TCMC1378
| Common Name | Isoacteoside |
| IUPAC Name | [(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | O=C(OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1 |
| Standard InCHIKey | FNMHEHXNBNCPCI-QEOJJFGVSA-N |
| External Identifiers | ChEMBL [CHEMBL504873]; PubChem [6476333]; |
| Reference of Component-Ingredient Pair | 28616865 |
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 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| 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 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
| TCMH1896 | Radix rehmanniae | Sheng Di Huang | 生地黄 |
| TCMH1897 | Radix rehmanniae | Sheng Di Huang Zhi | 生地黄汁 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC1356
Formula: C21H20O12
Ingredient ID: TCMC1356
| Common Name | Hyperoside |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1 |
| Standard InCHIKey | OVSQVDMCBVZWGM-DTGCRPNFSA-N |
| External Identifiers | ChEMBL [CHEMBL251254]; PubChem [5281643]; |
| Reference of Component-Ingredient Pair | 27019979 |
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 |
| 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 |
| 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 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
Showing 1 to 10 of 102 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: TCMC1271
Formula: C2H5NO2
Ingredient ID: TCMC1271
| Common Name | Glycine |
| IUPAC Name | 2-aminoacetic acid |
| Canonical SMILES | NCC(=O)O |
| Standard InCHI | InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) |
| Standard InCHIKey | DHMQDGOQFOQNFH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL773]; PubChem [750]; |
| 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 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
Showing 1 to 10 of 36 entries
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: TCMC1262
Formula: C6H10O6
Ingredient ID: TCMC1262
| Common Name | Gluconolactone |
| IUPAC Name | (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one |
| Canonical SMILES | OC[C@H]1OC(=O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1 |
| Standard InCHIKey | PHOQVHQSTUBQQK-SQOUGZDYSA-N |
| External Identifiers | ChEMBL [CHEMBL1200829]; PubChem [7027]; |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1194
Formula: C4H4O4
Ingredient ID: TCMC1194
| Common Name | Fumaric Acid |
| IUPAC Name | (E)-but-2-enedioic acid |
| Canonical SMILES | OC(=O)/C=C/C(=O)O |
| Standard InCHI | InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ |
| Standard InCHIKey | VZCYOOQTPOCHFL-OWOJBTEDSA-N |
| External Identifiers | ChEMBL [CHEMBL503160]; PubChem [444972]; |
| 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 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1571 | Daphniphyllum calycinum | Niu Er Feng | 牛耳枫 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2017 | Artemisia lactiflora | Si Ji Cai | 四季菜 |
Showing 1 to 10 of 38 entries
Ingredient ID: TCMC1192
Formula: C30H50O
Ingredient ID: TCMC1192
| Common Name | Friedeline |
| IUPAC Name | (4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
| Canonical SMILES | O=C1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C |
| Standard InCHI | InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 |
| Standard InCHIKey | OFMXGFHWLZPCFL-SVRPQWSVSA-N |
| External Identifiers | ChEMBL [CHEMBL485998]; PubChem [91472]; |
| Reference of Component-Ingredient Pair | 20026015 |
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 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
Showing 1 to 10 of 45 entries
Ingredient ID: TCMC1181
Formula: C9H10O4
Ingredient ID: TCMC1181
| Common Name | Flopropione |
| IUPAC Name | 1-(2,4,6-trihydroxyphenyl)propan-1-one |
| Canonical SMILES | CCC(=O)c1c(O)cc(cc1O)O |
| Standard InCHI | InChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3 |
| Standard InCHIKey | PTHLEKANMPKYDB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1605835]; PubChem [3362]; |
| Reference of Component-Ingredient Pair | 21976303 |
Occurrence of the ingredient across TCM components
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: TCMC114
Formula: C6H12O6
Ingredient ID: TCMC114
| Common Name | (3S,4S,5R,6R)-6-(Hydroxymethyl)Oxane-2,3,4,5-Tetrol |
| IUPAC Name | (3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Canonical SMILES | OC[C@H]1OC(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-WHZQZERISA-N |
| External Identifiers | ChEMBL [CHEMBL1519430]; PubChem [441035]; |
| 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 |
| TCMH1794 | Morus alba | Sang Shen | 桑葚 |
| TCMH1795 | Morus alba | Sang Shen Jin Gao | 桑葚浸膏 |
| TCMH1796 | Morus alba | Sang Shen Qing Gao | 桑葚清膏 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1134
Formula: C10H12O
Ingredient ID: TCMC1134
| Common Name | Estragole |
| IUPAC Name | 1-methoxy-4-prop-2-enylbenzene |
| Canonical SMILES | COc1ccc(cc1)CC=C |
| Standard InCHI | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 |
| Standard InCHIKey | ZFMSMUAANRJZFM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL470671]; PubChem [8815]; |
| 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 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1462 | Moschus moschiferus | Mao She Xiang | 毛麝香 |
| TCMH1463 | Moschus moschiferus | Mao She Xiang Jin Gao | 毛麝香浸膏 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Showing 1 to 10 of 58 entries
Ingredient ID: TCMC106
Formula: C12H22O11
Ingredient ID: TCMC106
| Common Name | (3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxane-2,3,4,5-Tetrol |
| IUPAC Name | (3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol |
| Canonical SMILES | OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1 |
| Standard InCHIKey | DLRVVLDZNNYCBX-RTPHMHGBSA-N |
| External Identifiers | ChEMBL [CHEMBL66675]; PubChem [439193]; |
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1031
Formula: C16H22O4
Ingredient ID: TCMC1031
| Common Name | Dibutyl Phthalate |
| IUPAC Name | dibutyl benzene-1,2-dicarboxylate |
| Canonical SMILES | CCCCOC(=O)c1ccccc1C(=O)OCCCC |
| Standard InCHI | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 |
| Standard InCHIKey | DOIRQSBPFJWKBE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL272485]; PubChem [3026]; |
| Reference of Component-Ingredient Pair | 29385629 |
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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| 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 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
Showing 1 to 10 of 57 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1031 | C16H22O4 | Dibutyl Phthalate | 278.15 | -1.2084 | 2.78 | 5.034 | 4 | 0 | 52.6 | 12 | 1 | 20 | 1 |
| TCMC106 | C12H22O11 | (3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxane-2,3,4,5-Tetrol | 342.12 | -4.2603 | 1.57 | -3.234 | 11 | 8 | 189.53 | 12 | 2 | 23 | 2 |
| TCMC1134 | C10H12O | Estragole | 148.09 | 0.9769 | 2.45 | 3.658 | 0 | 0 | 9.23 | 4 | 1 | 11 | 0 |
| TCMC114 | C6H12O6 | (3S,4S,5R,6R)-6-(Hydroxymethyl)Oxane-2,3,4,5-Tetrol | 180.06 | -2.5134 | 1.46 | -1.697 | 6 | 5 | 110.38 | 6 | 1 | 12 | 0 |
| TCMC1159 | C10H12O2 | Eugenol | 164.08 | 0.5166 | 2.34 | 2.484 | 0 | 1 | 29.46 | 5 | 1 | 12 | 0 |
| TCMC1181 | C9H10O4 | Flopropione | 182.06 | -1.5586 | 2.01 | 0.52 | 1 | 3 | 77.76 | 6 | 1 | 13 | 0 |
| TCMC1192 | C30H50O | Friedeline | 426.39 | 3.2175 | 4.65 | 12.613 | 1 | 0 | 17.07 | 8 | 5 | 31 | 1 |
| TCMC1194 | C4H4O4 | Fumaric Acid | 116.01 | -0.2252 | 1.46 | -0.416 | 4 | 2 | 74.6 | 4 | 0 | 8 | 0 |
| TCMC1262 | C6H10O6 | Gluconolactone | 178.05 | -2.229 | 1.46 | -1.203 | 6 | 4 | 107.22 | 5 | 1 | 12 | 0 |
| TCMC1269 | C3H8O3 | Glycerin | 92.05 | -1.4081 | 1.46 | -1.88 | 3 | 3 | 60.69 | 5 | 0 | 6 | 0 |
Showing 1 to 10 of 96 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
