Description of the Component
Component ID |
TCMH1862 |
Latin Name |
Cornus officinalis |
English Name |
Asiatic cornelian cherry |
Chinese Pinyin Name |
Shan Zhu Yu |
中文名 |
山茱萸 |
TCM Properties |
Warm,Sweet,Sour,Punkery |
TCM Meridians |
Liver,Kidney |
Therapeutic Class English |
Astriction |
Therapeutic Class Chinese |
收涩 |
Functions |
replenish the liver and kidney, restrain seminal discharge and relieve collapse |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Zhejiang Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAO2979-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1129 | Zhang Yan Ming Tablet | 障眼明片 |
| TCMF1325 | Qiju Dihuang Pills; Lycium Chrysanthemum Rehmannia Pill | 杞菊地黄丸 |
| TCMF1392 | Rehmannia Bolus for Improving Eyesight | 明目地黄丸 |
| TCMF1829 | Zuogui Decoction | 左归饮 |
| TCMF1863 | Qi Benefiting Decoction | |
| TCMF1905 | Decoction for Nourishing Liver | 调肝汤 |
| TCMF1971 | Yang Controling Decoction | |
| TCMF2010 | HQGD Decoction | 黄芪归地汤 |
| TCMF2028 | Tonic Decoction for Debility | 大补元煎 |
| TCMF2059 | Yougui Decoction | 右归饮 |
Showing 1 to 10 of 164 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT102 | ACP1 | Low molecular weight phosphotyrosine protein phosphatase | Hydrolase | P24666 |
| TCMT103 | PTPRF | Receptor-type tyrosine-protein phosphatase F (LAR) | Hydrolase | P10586 |
| TCMT107 | GRIK2 | Glutamate receptor ionotropic kainate 2 | Ion channel | Q13002 |
| TCMT108 | GRIA1 | Glutamate receptor ionotropic, AMPA 1 | Ion channel | P42261 |
| TCMT109 | GRIA2 | Glutamate receptor ionotropic, AMPA 2 | Ion channel | P42262 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT110 | GRIA4 | Glutamate receptor ionotropic, AMPA 4 | Ion channel | P48058 |
Showing 1 to 10 of 167 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 48 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: TCMC968
Formula: C6H10O
Ingredient ID: TCMC968
| Common Name | Cyclohexanone |
| IUPAC Name | cyclohexanone |
| Canonical SMILES | O=C1CCCCC1 |
| Standard InCHI | InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2 |
| Standard InCHIKey | JHIVVAPYMSGYDF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL18850]; PubChem [7967]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC949
Formula: C9H6O2
Ingredient ID: TCMC949
| Common Name | Coumarin |
| IUPAC Name | chromen-2-one |
| Canonical SMILES | O=c1ccc2c(o1)cccc2 |
| Standard InCHI | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
| Standard InCHIKey | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL6466]; PubChem [323]; |
| Reference of Component-Ingredient Pair | 28108177 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1658 | Euphorbia lathyris | Qian Jin Zi | 千金子 |
| TCMH1667 | Fagopyrum esculentum | Qiao Mai | 荞麦 |
| TCMH1706 | Dianthus superbus | Qu Mai | 瞿麦 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1742 | Cinnamomum cassia | Rou Gui | 肉桂 |
Showing 1 to 10 of 41 entries
Ingredient ID: TCMC948
Formula: C9H8O3
Ingredient ID: TCMC948
| Common Name | Coumaric Acid |
| IUPAC Name | (E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ |
| Standard InCHIKey | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
| External Identifiers | ChEMBL [CHEMBL66879]; PubChem [637542]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Showing 1 to 10 of 126 entries
Ingredient ID: TCMC943
Formula: C30H48O4
Ingredient ID: TCMC943
| Common Name | Corosolic Acid |
| IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Canonical SMILES | C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)C[C@@H](O)[C@@H](C1(C)C)O)C(=O)O |
| Standard InCHI | InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | HFGSQOYIOKBQOW-ZSDYHTTISA-N |
| External Identifiers | ChEMBL [CHEMBL391533]; PubChem [6918774]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1333 | Clerodendron cyrtophyllum | Lu Bian Qing | 路边青 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1453 | Ilex pubescens | Mao Dong Qing | 毛冬青 |
Showing 1 to 10 of 31 entries
Ingredient ID: TCMC886
Formula: C18H38O
Ingredient ID: TCMC886
| Common Name | Cetostearyl Alcohol |
| IUPAC Name | octadecan-1-ol |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCO |
| Standard InCHI | InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3 |
| Standard InCHIKey | GLDOVTGHNKAZLK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL24640]; PubChem [8221]; |
| Reference of Component-Ingredient Pair | 22639192 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1139 | Radix euphorbiae pekinensis | Jing Da Ji | 京大戟 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC847
Formula: C9H8O4
Ingredient ID: TCMC847
| Common Name | Caffeic Acid |
| IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
| Standard InCHIKey | QAIPRVGONGVQAS-DUXPYHPUSA-N |
| External Identifiers | ChEMBL [CHEMBL145]; PubChem [689043]; |
| Reference of Component-Ingredient Pair | 25130191 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 177 entries
Ingredient ID: TCMC845
Formula: C15H24O
Ingredient ID: TCMC845
| Common Name | Butylated Hydroxytoluene |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| Canonical SMILES | Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 |
| Standard InCHIKey | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL146]; PubChem [31404]; |
| Reference of Component-Ingredient Pair | 24021950 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1331 | Rhaponticum uniflorum | Lou Lu | 漏芦 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC838
Formula: C4H10O
Ingredient ID: TCMC838
| Common Name | Butanol |
| IUPAC Name | butan-2-ol |
| Canonical SMILES | CCC(O)C |
| Standard InCHI | InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 |
| Standard InCHIKey | BTANRVKWQNVYAZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL45462]; PubChem [6568]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
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: TCMC805
Formula: C30H46O3
Ingredient ID: TCMC805
| Common Name | Betunolic Acid |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C(=O)O |
| Standard InCHI | InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | SLJTWDNVZKIDAU-SVAFSPIFSA-N |
| External Identifiers | ChEMBL [CHEMBL431525]; PubChem [122844]; |
| Reference of Component-Ingredient Pair | 17290322 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1348 | Liquidambar formosana | Lu Lu Tong | 路路通 |
| TCMH1539 | Cucurbita moschata | Nan Gua | 南瓜 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1643 | Syzygium jambos | Pu Tao(1) | 蒲桃 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2072 | Rhodomyrtus tomentosa | Tao Jin Niang Gen | 桃金娘根 |
Showing 1 to 10 of 19 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: TCMC795
Formula: C13H16O10
Ingredient ID: TCMC795
| Common Name | Beta-Glucogallin |
| IUPAC Name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1 |
| Standard InCHIKey | GDVRUDXLQBVIKP-HQHREHCSSA-N |
| External Identifiers | ChEMBL [CHEMBL480283]; PubChem [124021]; |
| Reference of Component-Ingredient Pair | 19526787 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1525 | Crassostrea gigas | Mu Li | 牡蛎 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1682 | Artemisia carvifolia | Qing Hao Zi | 青蒿子 |
| TCMH185 | Phyllanthus niruri | Bing Tang Cao | 冰糖草 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC776
Formula: C16H14O2
Ingredient ID: TCMC776
| Common Name | Benzyl Cinnamate |
| IUPAC Name | benzyl (E)-3-phenylprop-2-enoate |
| Canonical SMILES | O=C(/C=C/c1ccccc1)OCc1ccccc1 |
| Standard InCHI | InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+ |
| Standard InCHIKey | NGHOLYJTSCBCGC-VAWYXSNFSA-N |
| External Identifiers | ChEMBL [CHEMBL361197]; PubChem [5273469]; |
| Reference of Component-Ingredient Pair | 20127322 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC766
Formula: C7H5NS
Ingredient ID: TCMC766
| Common Name | Benzo[D]Thiazole |
| IUPAC Name | 1,3-benzothiazole |
| Canonical SMILES | c1ccc2c(c1)scn2 |
| Standard InCHI | InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H |
| Standard InCHIKey | IOJUPLGTWVMSFF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL510309]; PubChem [7222]; |
| Reference of Component-Ingredient Pair | 22716293 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH865 | Carthamus tinctorius | Hong Hua | 红花 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC7364
Formula: C11H14O5
Ingredient ID: TCMC7364
| Common Name | Dehydromorroniaglycone |
| IUPAC Name | methyl (1R,3R,7S,8S,9S)-9-methyl-2,4,10-trioxatricyclo[5.3.1.03,8]undec-5-ene-6-carboxylate |
| Canonical SMILES | COC(=C1C=[O][C@H]2[C@H]3[C@@H]1C[C@@H](O2)O[C@H]3C)[O-] |
| Standard InCHI | InChI=1S/C11H15O5/c1-5-9-6-3-8(15-5)16-11(9)14-4-7(6)10(12)13-2/h4-6,8-9,11-12H,3H2,1-2H3/p-1/t5-,6+,8+,9+,11+/m0/s1 |
| Standard InCHIKey | RCUKXTONJZDSDW-DANLAGSESA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [131636889]; |
| Reference of Component-Ingredient Pair | 26626246 |
Occurrence of the ingredient across TCM components
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: 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: TCMC6782
Formula: C18H28O11
Ingredient ID: TCMC6782
| Common Name | 7-O-Methyl Morroniside |
| IUPAC Name | methyl (1S,3R,4aS,8S,8aS)-3-methoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate |
| Canonical SMILES | CO[C@@H]1O[C@@H](C)[C@@H]2[C@H](C1)C(=C(OC)[O-])C=[O][C@H]2O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C18H29O11/c1-7-12-8(4-11(24-2)27-7)9(16(23)25-3)6-26-17(12)29-18-15(22)14(21)13(20)10(5-19)28-18/h6-8,10-15,17-23H,4-5H2,1-3H3/p-1/t7-,8+,10+,11+,12+,13+,14-,15+,17-,18-/m0/s1 |
| Standard InCHIKey | JOMSZWDJYOFOLM-ZMBMZZJNSA-M |
| External Identifiers | ChEMBL [CHEMBL1209872]; PubChem [49862810]; |
| Reference of Component-Ingredient Pair | 21982433 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC667
Formula: C30H50O
Ingredient ID: TCMC667
| Common Name | Alpha-Amyrin |
| IUPAC Name | (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol |
| Canonical SMILES | C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C |
| Standard InCHI | InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1 |
| Standard InCHIKey | FSLPMRQHCOLESF-SFMCKYFRSA-N |
| External Identifiers | ChEMBL [CHEMBL455357]; PubChem [73170]; |
| Reference of Component-Ingredient Pair | 22782538 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1660 | Senecio scandens | Qian Li Guang | 千里光 |
| TCMH1683 | Canarium album | Qing Guo | 青果 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC6627
Formula: C15H24
Ingredient ID: TCMC6627
| Common Name | Α-Copaene |
| IUPAC Name | (1R,6S,7S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene |
| Canonical SMILES | CC(C1CC[C@@]2([C@@H]3[C@H]1C2C(=CC3)C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12-,13-,14?,15+/m0/s1 |
| Standard InCHIKey | VLXDPFLIRFYIME-PLWLXLEKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [25245021]; |
| Reference of Component-Ingredient Pair | 9442047 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6323
Formula: C75H56O48
Ingredient ID: TCMC6323
| Common Name | Cornusiin G |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 2,3,4-trihydroxy-6-[[(10R,11S,12R,13S,15R)-3,4,21,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-5-yl]oxy]benzoate |
| Canonical SMILES | O[C@@H]1[C@@H](COC(=O)c2c(cc(c(c2O)O)O)Oc2cc3C(=O)O[C@@H]4[C@@H](COC(=O)c5c(c3c(c2O)O)c(O)c(c(c5)O)O)O[C@H]([C@@H]([C@H]4OC(=O)c2cc(O)c(c(c2)O)O)OC(=O)c2cc(O)c(c(c2)O)O)OC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C75H56O48/c76-26-1-18(2-27(77)47(26)90)65(103)118-61-56(99)42(115-74(122-69(107)22-9-34(84)51(94)35(85)10-22)63(61)120-67(105)20-5-30(80)49(92)31(81)6-20)16-113-73(111)46-40(15-39(89)54(97)59(46)102)114-41-14-25-45(58(101)55(41)98)44-24(13-38(88)53(96)57(44)100)71(109)112-17-43-60(117-72(25)110)62(119-66(104)19-3-28(78)48(91)29(79)4-19)64(121-68(106)21-7-32(82)50(93)33(83)8-21)75(116-43)123-70(108)23-11-36(86)52(95)37(87)12-23/h1-15,42-43,56,60-64,74-102H,16-17H2/t42-,43-,56-,60-,61+,62+,63-,64-,74+,75+/m1/s1 |
| Standard InCHIKey | OXYNTHAZHTYEDD-VAZJVBODSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [16133860]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6322
Formula: C102H74O65
Ingredient ID: TCMC6322
| Common Name | Cornusiin C |
| IUPAC Name | [(10R,11S,12R,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[(10R,11S,12R,15R)-12-[3-[[(10R,11S,12R)-3,4,5,13,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl]oxy]-4,5-dihydroxybenzoyl]oxy-3,4,5,13,22,23-hexahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl]oxy]-3,4,5-trihydroxybenzoate |
| Canonical SMILES | OC1O[C@@H]2COC(=O)c3cc(Oc4c(cc(c(c4O)O)O)C(=O)O[C@H]4C(O)O[C@H]5[C@H]([C@@H]4OC(=O)c4cc(O)c(c(c4)O)O)OC(=O)c4cc(O)c(c(c4c4c(C(=O)OC5)cc(c(c4O)O)O)O)O)c(c(c3c3c(C(=O)O[C@H]2[C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)Oc1cc2C(=O)OCC4OC(O)[C@@H]([C@H]([C@@H]4OC(=O)c4c(c2c(c1O)O)c(O)c(c(c4)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O)cc(O)c(c3O)O)O)O |
| Standard InCHI | InChI=1S/C102H74O65/c103-33-1-21(2-34(104)59(33)117)88(136)162-82-79-51(156-100(148)85(82)165-91(139)24-7-39(109)62(120)40(110)8-24)19-152-94(142)30-16-48(69(127)75(133)57(30)55-28(97(145)159-79)13-44(114)66(124)73(55)131)154-47-10-25(9-41(111)63(47)121)92(140)166-86-83(163-89(137)22-3-35(105)60(118)36(106)4-22)80-52(157-101(86)149)20-153-95(143)31-17-49(70(128)76(134)58(31)56-29(98(146)160-80)14-45(115)67(125)74(56)132)155-78-32(15-46(116)68(126)77(78)135)99(147)167-87-84(164-90(138)23-5-37(107)61(119)38(108)6-23)81-50(158-102(87)150)18-151-93(141)26-11-42(112)64(122)71(129)53(26)54-27(96(144)161-81)12-43(113)65(123)72(54)130/h1-17,50-52,79-87,100-135,148-150H,18-20H2/t50-,51?,52-,79-,80-,81-,82+,83+,84+,85-,86-,87-,100?,101?,102?/m1/s1 |
| Standard InCHIKey | DKWBPKQHAPBPBK-IIJAWXDASA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [16132407]; |
| Reference of Component-Ingredient Pair | 2480850 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5930
Formula: C17H24O10
Ingredient ID: TCMC5930
| Common Name | Dehydrologanin |
| IUPAC Name | methyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate |
| Canonical SMILES | COC(=C1C=[O][C@H]([C@H]2[C@@H]1CC(=O)[C@@H]2C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)[O-] |
| Standard InCHI | InChI=1S/C17H25O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-23H,3-4H2,1-2H3/p-1/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1 |
| Standard InCHIKey | IKZHGMRBXGLHDM-PMRPVAAPSA-M |
| External Identifiers | ChEMBL [CHEMBL3092674]; PubChem [12311348]; |
| Reference of Component-Ingredient Pair | 18229614 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5667
Formula: C34H28O22
Ingredient ID: TCMC5667
| Common Name | 1,2,4,6-Tetra-O-Galloyl-Β-D-Glucose |
| IUPAC Name | [(2R,3S,4S,5R,6S)-4-hydroxy-3,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O[C@H]1[C@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-28(54-31(49)11-3-16(37)24(44)17(38)4-11)27(47)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27+,28-,29-,34+/m1/s1 |
| Standard InCHIKey | YXZYFHXWEOAXLF-UGAZNADUSA-N |
| External Identifiers | ChEMBL [CHEMBL449495]; PubChem [11297287]; |
| Reference of Component-Ingredient Pair | 22619617 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5640
Formula: C17H26O11
Ingredient ID: TCMC5640
| Common Name | Morroniside |
| IUPAC Name | methyl (1S,3R,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate |
| Canonical SMILES | COC(=C1C=[O][C@H]([C@H]2[C@@H]1C[C@H](O)O[C@H]2C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)[O-] |
| Standard InCHI | InChI=1S/C17H27O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-23H,3-4H2,1-2H3/p-1/t6-,7+,9+,10+,11+,12+,13-,14+,16-,17-/m0/s1 |
| Standard InCHIKey | VJSDWCWDRLJSAJ-SFBCHFHNSA-M |
| External Identifiers | ChEMBL [CHEMBL1209803]; PubChem [11228693]; |
| Reference of Component-Ingredient Pair | 24984470 |
Occurrence of the ingredient across TCM components
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: TCMC4953
Formula: C20H38O2
Ingredient ID: TCMC4953
| Common Name | Ethyl Oleate |
| IUPAC Name | ethyl (E)-octadec-9-enoate |
| Canonical SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)OCC |
| Standard InCHI | InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11+ |
| Standard InCHIKey | LVGKNOAMLMIIKO-VAWYXSNFSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5364430]; |
| Reference of Component-Ingredient Pair | 20661784 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4900
Formula: C27H24O18
Ingredient ID: TCMC4900
| Common Name | 1,2,3-Tri-O-Galloyl-Β-D-Glucose |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1 |
| Standard InCHIKey | MACFXELYCBWKGT-VFTFQOQOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5322038]; |
| Reference of Component-Ingredient Pair | 28589255 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4723
Formula: C8H8O3
Ingredient ID: TCMC4723
| Common Name | 4-Methoxy-1,2-Benzodioxole |
| IUPAC Name | 4-methoxy-3H-1,2-benzodioxole |
| Canonical SMILES | COc1cccc2c1COO2 |
| Standard InCHI | InChI=1S/C8H8O3/c1-9-7-3-2-4-8-6(7)5-10-11-8/h2-4H,5H2,1H3 |
| Standard InCHIKey | SMUNJBNGTHEKIO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5319407]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4387
Formula: C20H36O2
Ingredient ID: TCMC4387
| Common Name | Ethyllinoleate |
| IUPAC Name | ethyl (9Z,12Z)-octadeca-9,12-dienoate |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)OCC |
| Standard InCHI | InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11- |
| Standard InCHIKey | FMMOOAYVCKXGMF-MURFETPASA-N |
| External Identifiers | ChEMBL [CHEMBL2106238]; PubChem [5282184]; |
| Reference of Component-Ingredient Pair | 28455796 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC424
Formula: C7H6O4
Ingredient ID: TCMC424
| Common Name | 3,5-Dihydroxybenzoic Acid |
| IUPAC Name | 3,5-dihydroxybenzoic acid |
| Canonical SMILES | Oc1cc(O)cc(c1)C(=O)O |
| Standard InCHI | InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11) |
| Standard InCHIKey | UYEMGAFJOZZIFP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL95308]; PubChem [7424]; |
| Reference of Component-Ingredient Pair | 22608674 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| 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 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH935 | Platycarya strobilacea | Hua Xiang Shu Guo | 化香树果 |
| TCMH936 | Platycarya strobilacea | Hua Xiang Shu Guo Xu | 化香树果序 |
| TCMH978 | Taraxacum mongolicum | Huang Miao | 黄苗 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC416
Formula: C22H18O10
Ingredient ID: TCMC416
| Common Name | 3,4,5-Trihydroxy-Benzoic Acid (2S,3S)-2-(3,4-Dihydroxy-Phenyl)-5,7-Dihydroxy-Chroman-3-Yl Ester |
| IUPAC Name | [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@H]([C@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1 |
| Standard InCHIKey | LSHVYAFMTMFKBA-FPOVZHCZSA-N |
| External Identifiers | ChEMBL [CHEMBL126142]; PubChem [65056]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
Showing 1 to 10 of 26 entries
Ingredient ID: TCMC4075
Formula: C12H16O3
Ingredient ID: TCMC4075
| Common Name | 1-Allyl-2,4,5-Trimethoxy-Benzene,Γ-Asarone |
| IUPAC Name | 1,2,4-trimethoxy-5-prop-2-enylbenzene |
| Canonical SMILES | C=CCc1cc(OC)c(cc1OC)OC |
| Standard InCHI | InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3 |
| Standard InCHIKey | AUNAUZZQBAIQFJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [636750]; |
| Reference of Component-Ingredient Pair | 17114817 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3973
Formula: C27H22O18
Ingredient ID: TCMC3973
| Common Name | Gemin D |
| IUPAC Name | [1-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2-hydroxy-3-oxopropyl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O=CC(C(C1OC(=O)c2cc(O)c(c(c2c2c(C(=O)OCC1O)cc(c(c2O)O)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O)O |
| Standard InCHI | InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2 |
| Standard InCHIKey | XKVYZLLWKHGKMT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [471119]; |
| Reference of Component-Ingredient Pair | 17972584 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3972
Formula: C20H20O14
Ingredient ID: TCMC3972
| Common Name | 2,3-Di-O-Galloyl-D-Glucose |
| IUPAC Name | [(2R,3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20-/m1/s1 |
| Standard InCHIKey | LRRLFFLVWQTQGZ-WRMYNCHHSA-N |
| External Identifiers | ChEMBL [CHEMBL518217]; PubChem [471118]; |
| Reference of Component-Ingredient Pair | 24793101 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC392
Formula: C11H10
Ingredient ID: TCMC392
| Common Name | 2-Methylnaphthalene |
| IUPAC Name | 2-methylnaphthalene |
| Canonical SMILES | Cc1ccc2c(c1)cccc2 |
| Standard InCHI | InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3 |
| Standard InCHIKey | QIMMUPPBPVKWKM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL195895]; PubChem [7055]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1939 | Combretum indicum | Shi Jun Zi Ren | 使君子仁 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3884
Formula: C15H22
Ingredient ID: TCMC3884
| Common Name | Α-Curcumene,Α-Curcumene(R-) |
| IUPAC Name | 1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene |
| Canonical SMILES | CC(=CCC[C@H](c1ccc(cc1)C)C)C |
| Standard InCHI | InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1 |
| Standard InCHIKey | VMYXUZSZMNBRCN-CQSZACIVSA-N |
| External Identifiers | ChEMBL [CHEMBL469717]; PubChem [442360]; |
| Reference of Component-Ingredient Pair | 15330612 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC3740
Formula: C4H6O5
Ingredient ID: TCMC3740
| Common Name | Malic Acid |
| IUPAC Name | (2S)-2-hydroxybutanedioic acid |
| Canonical SMILES | [O-]C(=O)C[C@@H](C(=O)[O-])O |
| Standard InCHI | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1 |
| Standard InCHIKey | BJEPYKJPYRNKOW-REOHCLBHSA-L |
| External Identifiers | ChEMBL [N/A]; PubChem [222656]; |
| Reference of Component-Ingredient Pair | 22569531 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3623
Formula: C15H22O
Ingredient ID: TCMC3623
| Common Name | Aristolone |
| IUPAC Name | (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-2-one |
| Canonical SMILES | O=C1C=C2CCC[C@H]([C@@]2([C@H]2[C@@H]1C2(C)C)C)C |
| Standard InCHI | InChI=1S/C15H22O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12-,13+,15+/m1/s1 |
| Standard InCHIKey | UGVIZCBJCSXBCJ-JWFUOXDNSA-N |
| External Identifiers | ChEMBL [CHEMBL512374]; PubChem [165536]; |
| Reference of Component-Ingredient Pair | 8011122 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3590
Formula: C16H22O9
Ingredient ID: TCMC3590
| Common Name | Sweroside |
| IUPAC Name | (3S,4R,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one |
| Canonical SMILES | C=C[C@H]1[C@@H]([O]=CC2=C(OCC[C@@H]12)[O-])O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C16H23O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-21H,1,3-5H2/p-1/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1 |
| Standard InCHIKey | INVGDVAONAHNSD-ZASXJUAOSA-M |
| External Identifiers | ChEMBL [CHEMBL456137]; PubChem [161036]; |
| Reference of Component-Ingredient Pair | 23604973 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3487
Formula: C24H30O14
Ingredient ID: TCMC3487
| Common Name | Cornuside |
| IUPAC Name | methyl (2R,3S,4R)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate |
| Canonical SMILES | COC(=C1C=[O][C@@H]([C@H]([C@H]1CCOC(=O)c1cc(O)c(c(c1)O)O)C=C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)[O-] |
| Standard InCHI | InChI=1S/C24H31O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31,33H,1,4-5,8H2,2H3/p-1/t11-,12+,16+,18+,19-,20+,23+,24-/m0/s1 |
| Standard InCHIKey | BKZLOPWYYFURIS-ZEIULZLQSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [131348]; |
| Reference of Component-Ingredient Pair | 28589255 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3349
Formula: C11H12O3
Ingredient ID: TCMC3349
| Common Name | Asaricin |
| IUPAC Name | 5-methoxy-6-prop-2-enyl-1,3-benzodioxole |
| Canonical SMILES | C=CCc1cc2OCOc2cc1OC |
| Standard InCHI | InChI=1S/C11H12O3/c1-3-4-8-5-10-11(14-7-13-10)6-9(8)12-2/h3,5-6H,1,4,7H2,2H3 |
| Standard InCHIKey | FYRHTIWFKXZWAD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [95289]; |
| Reference of Component-Ingredient Pair | 16462055 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3288
Formula: C4H10O
Ingredient ID: TCMC3288
| Common Name | Isobutyl Alcohol |
| IUPAC Name | (2R)-butan-2-ol |
| Canonical SMILES | CC[C@H](O)C |
| Standard InCHI | InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1 |
| Standard InCHIKey | BTANRVKWQNVYAZ-SCSAIBSYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [84682]; |
| Reference of Component-Ingredient Pair | 21955217 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3165
Formula: C5H12O
Ingredient ID: TCMC3165
| Common Name | Isoamyl Alcohol |
| IUPAC Name | 3-methylbutan-1-ol |
| Canonical SMILES | OCCC(C)C |
| Standard InCHI | InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 |
| Standard InCHIKey | PHTQWCKDNZKARW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL372396]; PubChem [31260]; |
| Reference of Component-Ingredient Pair | 23043843 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3140
Formula: C10H18O2
Ingredient ID: TCMC3140
| Common Name | Linalool Oxide |
| IUPAC Name | 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol |
| Canonical SMILES | C=CC1(C)CCC(O1)C(O)(C)C |
| Standard InCHI | InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3 |
| Standard InCHIKey | BRHDDEIRQPDPMG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [22310]; |
| Reference of Component-Ingredient Pair | 22871061 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3053
Formula: C18H36O2
Ingredient ID: TCMC3053
| Common Name | Ethyl Palmitate |
| IUPAC Name | ethyl hexadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OCC |
| Standard InCHI | InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3 |
| Standard InCHIKey | XIRNKXNNONJFQO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3561042]; PubChem [12366]; |
| Reference of Component-Ingredient Pair | 22136358 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1864 | Phytolacca esculenta | Shang Lu | 商陆 |
| TCMH305 | Cnidium officinale | Chuan Xiong | 川芎 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC2994
Formula: C12H16O3
Ingredient ID: TCMC2994
| Common Name | Elemicin |
| IUPAC Name | 1,2,3-trimethoxy-5-prop-2-enylbenzene |
| Canonical SMILES | C=CCc1cc(OC)c(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3 |
| Standard InCHIKey | BPLQKQKXWHCZSS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL458690]; PubChem [10248]; |
| Reference of Component-Ingredient Pair | 18951959 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH2722 | Perilla frutescens var. arguta | Zi Su Ye | 紫苏叶 |
| TCMH512 | Fructus amomi rotundus | Dou Kou | 豆蔻 |
| TCMH776 | Piper kadsura | Hai Feng Teng | 海风藤 |
| TCMH925 | Exocarpium citri grandis | Hua Ju Hong | 化橘红 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC297
Formula: C21H20O12
Ingredient ID: TCMC297
| Common Name | 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OCC1OC(Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)C(C(C1O)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 |
| Standard InCHIKey | OVSQVDMCBVZWGM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL33027]; PubChem [5378597]; |
| Reference of Component-Ingredient Pair | 21469731 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2916
Formula: C10H16O
Ingredient ID: TCMC2916
| Common Name | Pulegone |
| IUPAC Name | 5-methyl-2-propan-2-ylidenecyclohexan-1-one |
| Canonical SMILES | CC1CCC(=C(C)C)C(=O)C1 |
| Standard InCHI | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3 |
| Standard InCHIKey | NZGWDASTMWDZIW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1898498]; PubChem [6988]; |
| Reference of Component-Ingredient Pair | 21777420 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2886
Formula: C12H22O11
Ingredient ID: TCMC2886
| Common Name | Sucrose |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 |
| Standard InCHIKey | CZMRCDWAGMRECN-UGDNZRGBSA-N |
| External Identifiers | ChEMBL [CHEMBL253582]; PubChem [5988]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1329 | Arillus longan | Long Yan Rou | 龙眼肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2885
Formula: C6H12O6
Ingredient ID: TCMC2885
| Common Name | Fructose |
| IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| Canonical SMILES | OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1 |
| Standard InCHIKey | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5984]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1845 | Dioscorea batatas | Shan Yao | 山药 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2084 | Asparagus cochinchinensis | Tian Dong | 天冬 |
| TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
| TCMH451 | Rehmannia glutinosa | Di Huang | 地黄 |
| TCMH90 | Imperata cylindrica | Bai Mao Gen | 白茅根 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2883
Formula: C6H12O6
Ingredient ID: TCMC2883
| Common Name | D-Glucose,Glucose |
| IUPAC Name | (3R,4S,5S,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-GASJEMHNSA-N |
| External Identifiers | ChEMBL [CHEMBL1222250]; PubChem [5793]; |
| Reference of Component-Ingredient Pair | 22902238 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1339 | Phragmites communis | Lu Gen | 芦根 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1370 | Siraitia grosvenorii | Luo Han Guo | 罗汉果 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1845 | Dioscorea batatas | Shan Yao | 山药 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH206 | Fructus xanthii sibirici | Cang Er Zi | 苍耳子 |
| TCMH31 | Morinda officinalis | Ba Ji Tian | 巴戟天 |
| TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
| TCMH90 | Imperata cylindrica | Bai Mao Gen | 白茅根 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC285
Formula: C11H10
Ingredient ID: TCMC285
| Common Name | 1-Methylnaphthalene |
| IUPAC Name | 1-methylnaphthalene |
| Canonical SMILES | Cc1cccc2c1cccc2 |
| Standard InCHI | InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3 |
| Standard InCHIKey | QPUYECUOLPXSFR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL383808]; PubChem [7002]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2506 | Ginkgo biloba | Yin Xing Ye | 银杏叶 |
| TCMH348 | Lobelia chinensis | Da Ban Bian Lian | 大半边莲 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC2809
Formula: C15H18O
Ingredient ID: TCMC2809
| Common Name | 7-Hydroxycadalin |
| IUPAC Name | 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol |
| Canonical SMILES | Cc1cc2c(ccc(c2cc1O)C)C(C)C |
| Standard InCHI | InChI=1S/C15H18O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5-9,16H,1-4H3 |
| Standard InCHIKey | RIWNMJBJRPCUBX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL451475]; PubChem [608115]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1172 | Dipsacus japonicus | Jiu Xu Duan | 酒续断 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1255 | Tripterygium wilfordii | Lei Gong Teng | 雷公藤 |
| TCMH1527 | Bombax malabaricum | Mu Mian Hua | 木棉花 |
| TCMH1528 | Bombax malabaricum | Mu Mian Pi | 木棉皮 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2310 | Valeriana officinalis | Xie Cao | 缬草 |
| TCMH2334 | Dipsacus japonicus | Xu Duan | 续断 |
| TCMH2698 | Valeriana officinalis | Zhua Di Hu | 抓地虎 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC2681
Formula: C17H26O10
Ingredient ID: TCMC2681
| Common Name | Loganin |
| IUPAC Name | methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@H](C)[C@H](C3)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1 |
| Standard InCHIKey | AMBQHHVBBHTQBF-UOUCRYGSSA-N |
| External Identifiers | ChEMBL [CHEMBL1081584]; PubChem [87691]; |
| Reference of Component-Ingredient Pair | 22422345 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1405 | Strychnos nux-vomica | Ma Qian Zi | 马钱子 |
| TCMH1406 | Strychnos nux-vomica | Ma Qian Zi Fen | 马钱子粉 |
| TCMH1673 | Gentiana macrophylla | Qin Jiao | 秦艽 |
| TCMH1674 | Gentiana straminea | Qin Jiao Hua | 秦艽花 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2622 | Strychnos nux-vomica | Zhi Ma Qian Zi | 炙马钱子 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC2661
Formula: C16H24O10
Ingredient ID: TCMC2661
| Common Name | Loganic Acid |
| IUPAC Name | (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@H](C)[C@H](C3)O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1 |
| Standard InCHIKey | JNNGEAWILNVFFD-CDJYTOATSA-N |
| External Identifiers | ChEMBL [CHEMBL1081585]; PubChem [89640]; |
| Reference of Component-Ingredient Pair | 20707196 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1317 | Gentiana scabra | Long Dan | 龙胆 |
| TCMH1319 | Gentiana scabra | Long Dan Jin Gao | 龙胆浸膏 |
| TCMH1561 | Arctium lappa | Niu Bang Cao | 牛蒡草 |
| TCMH1673 | Gentiana macrophylla | Qin Jiao | 秦艽 |
| TCMH1674 | Gentiana straminea | Qin Jiao Hua | 秦艽花 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC2541
Formula: C10H18O
Ingredient ID: TCMC2541
| Common Name | Alpha-Terpineol |
| IUPAC Name | 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol |
| Canonical SMILES | CC1=CC[C@H](CC1)C(O)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1 |
| Standard InCHIKey | WUOACPNHFRMFPN-SECBINFHSA-N |
| External Identifiers | ChEMBL [CHEMBL447597]; PubChem [443162]; |
| Reference of Component-Ingredient Pair | 27231091 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| 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 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
Showing 1 to 10 of 143 entries
Ingredient ID: TCMC243
Formula: C19H38O4
Ingredient ID: TCMC243
| Common Name | 1,3-Dihydroxypropan-2-Yl Hexadecanoate |
| IUPAC Name | 1,3-dihydroxypropan-2-yl hexadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OC(CO)CO |
| Standard InCHI | InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3 |
| Standard InCHIKey | BBNYCLAREVXOSG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1317070]; PubChem [123409]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC2381
Formula: C8H10O
Ingredient ID: TCMC2381
| Common Name | Phenylethyl Alcohol |
| IUPAC Name | 2-phenylethanol |
| Canonical SMILES | OCCc1ccccc1 |
| Standard InCHI | InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| Standard InCHIKey | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL448500]; PubChem [6054]; |
| Reference of Component-Ingredient Pair | 22980851 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| 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 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
Showing 1 to 10 of 61 entries
Ingredient ID: TCMC2369
Formula: C38H42N2O6
Ingredient ID: TCMC2369
| Common Name | Isotetrandrine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C |
| Standard InCHI | InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1 |
| Standard InCHIKey | WVTKBKWTSCPRNU-IHLOFXLRSA-N |
| External Identifiers | ChEMBL [CHEMBL504757]; PubChem [5351212]; |
| Reference of Component-Ingredient Pair | 29898104 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1326 | Physeter catodon | Long Xian Xiang | 龙涎香 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH1764 | Cortex berberidis | San Ke Zhen | 三棵针 |
| TCMH1765 | Cortex berberidis | San Ke Zhen Pi | 三棵针皮 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH565 | Stephania tetrandra | Fang Ji | 防己 |
| TCMH686 | Caulis mahoniae | Gong Lao Mu | 功劳木 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC228
Formula: C6H14O2
Ingredient ID: TCMC228
| Common Name | 1,1-Diethoxyethane |
| IUPAC Name | 1,1-diethoxyethane |
| Canonical SMILES | CCOC(OCC)C |
| Standard InCHI | InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3 |
| Standard InCHIKey | DHKHKXVYLBGOIT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1338583]; PubChem [7765]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2056 | Cynomorium songaricum | Suo Yang | 锁阳 |
| TCMH2726 | Pterocarpus indicus | Zi Tan | 紫檀 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC2229
Formula: C17H24O10
Ingredient ID: TCMC2229
| Common Name | Verbenalin |
| IUPAC Name | methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@H](C)CC3=O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1 |
| Standard InCHIKey | HLXRWTJXGMHOFN-XJSNKYLASA-N |
| External Identifiers | ChEMBL [CHEMBL1080178]; PubChem [73467]; |
| Reference of Component-Ingredient Pair | 2938777 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2223
Formula: C8H8O3
Ingredient ID: TCMC2223
| Common Name | Vanillin |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| Canonical SMILES | COc1cc(C=O)ccc1O |
| Standard InCHI | InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| Standard InCHIKey | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL13883]; PubChem [1183]; |
| Reference of Component-Ingredient Pair | 22980836 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1150 | Gynura segetum | Jing Tian San Qi | 景天三七 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
Showing 1 to 10 of 80 entries
Ingredient ID: TCMC2216
Formula: C30H48O3
Ingredient ID: TCMC2216
| Common Name | Ursolic Acid |
| IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Canonical SMILES | C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O |
| Standard InCHI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | WCGUUGGRBIKTOS-GPOJBZKASA-N |
| External Identifiers | ChEMBL [CHEMBL169]; PubChem [64945]; |
| Reference of Component-Ingredient Pair | 27085377 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| 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 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
Showing 1 to 10 of 99 entries
Ingredient ID: TCMC2208
Formula: C3H7NO2
Ingredient ID: TCMC2208
| Common Name | Urethane |
| IUPAC Name | ethyl carbamate |
| Canonical SMILES | CCOC(=N)O |
| Standard InCHI | InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5) |
| Standard InCHIKey | JOYRKODLDBILNP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL462547]; PubChem [5641]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2180
Formula: C12H16O3
Ingredient ID: TCMC2180
| Common Name | Trans-Asarone |
| IUPAC Name | 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene |
| Canonical SMILES | C/C=C/c1cc(OC)c(cc1OC)OC |
| Standard InCHI | InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+ |
| Standard InCHIKey | RKFAZBXYICVSKP-AATRIKPKSA-N |
| External Identifiers | ChEMBL [CHEMBL333306]; PubChem [636822]; |
| Reference of Component-Ingredient Pair | 29174417 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC2145
Formula: C21H24N2O3
Ingredient ID: TCMC2145
| Common Name | Tetrahydroalstonine |
| IUPAC Name | n.a. |
| Canonical SMILES | COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1)C |
| Standard InCHI | InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19-/m0/s1 |
| Standard InCHIKey | GRTOGORTSDXSFK-DLLGKBFGSA-N |
| External Identifiers | ChEMBL [CHEMBL498734]; PubChem [72340]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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: TCMC2110
Formula: C8H8
Ingredient ID: TCMC2110
| Common Name | Styrene |
| IUPAC Name | styrene |
| Canonical SMILES | C=Cc1ccccc1 |
| Standard InCHI | InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 |
| Standard InCHIKey | PPBRXRYQALVLMV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL285235]; PubChem [7501]; |
| Reference of Component-Ingredient Pair | 28951217 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| 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 |
| TCMH1611 | Rhizoma curcumae | Peng E Zhu | 蓬莪术 |
Showing 1 to 10 of 31 entries
Ingredient ID: TCMC2107
Formula: C29H48O
Ingredient ID: TCMC2107
| Common Name | Stigmasterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | HCXVJBMSMIARIN-PHZDYDNGSA-N |
| External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5280794]; |
| Reference of Component-Ingredient Pair | 16261518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 110 entries
Ingredient ID: TCMC2105
Formula: C18H36O2
Ingredient ID: TCMC2105
| Common Name | Stearic Acid |
| IUPAC Name | octadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) |
| Standard InCHIKey | QIQXTHQIDYTFRH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL46403]; PubChem [5281]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 176 entries
Ingredient ID: 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: TCMC2035
Formula: C10H10O2
Ingredient ID: TCMC2035
| Common Name | Safrole |
| IUPAC Name | 5-prop-2-enyl-1,3-benzodioxole |
| Canonical SMILES | C=CCc1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 |
| Standard InCHIKey | ZMQAAUBTXCXRIC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL242273]; PubChem [5144]; |
| Reference of Component-Ingredient Pair | 25058030 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1374 | Ocimum basilicum | Luo Le | 罗勒 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1551 | Asarum forbesii | Nan Xi Xin | 南细辛 |
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
Showing 1 to 10 of 40 entries
Ingredient ID: TCMC2006
Formula: C20H30O
Ingredient ID: TCMC2006
| Common Name | Retinol |
| IUPAC Name | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol |
| Canonical SMILES | OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C |
| Standard InCHI | InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ |
| Standard InCHIKey | FPIPGXGPPPQFEQ-OVSJKPMPSA-N |
| External Identifiers | ChEMBL [CHEMBL986]; PubChem [445354]; |
| Reference of Component-Ingredient Pair | 25051504 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1444 | Datura metel | Man Tuo Luo Ye | 曼陀罗叶 |
| TCMH1445 | Datura metel | Man Tuo Luo Zi | 曼陀罗子 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2154 | Artemisia capillaris | Tu Yin Chen Hao | 土茵陈蒿 |
Showing 1 to 10 of 16 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: 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: TCMC1882
Formula: C8H6O4
Ingredient ID: TCMC1882
| Common Name | Phthalic Acid |
| IUPAC Name | hydron;phthalate |
| Canonical SMILES | OC(=O)c1ccccc1C(=O)O |
| Standard InCHI | InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) |
| Standard InCHIKey | XNGIFLGASWRNHJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1045]; PubChem [18183610]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| 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 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1966 | Rehmannia glutinosa | Shu Di Huang | 熟地黄 |
Showing 1 to 10 of 27 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: TCMC1851
Formula: C41H32O26
Ingredient ID: TCMC1851
| Common Name | Pentagalloyl Glucose |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1 |
| Standard InCHIKey | QJYNZEYHSMRWBK-NIKIMHBISA-N |
| External Identifiers | ChEMBL [CHEMBL382408]; PubChem [65238]; |
| Reference of Component-Ingredient Pair | 22512478 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1682 | Artemisia carvifolia | Qing Hao Zi | 青蒿子 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
| 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 20 entries
Ingredient ID: TCMC1848
Formula: C14H25NO
Ingredient ID: TCMC1848
| Common Name | Pellitorin |
| IUPAC Name | (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide |
| Canonical SMILES | CCCCC/C=C/C=C/C(=NCC(C)C)O |
| Standard InCHI | InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+ |
| Standard InCHIKey | MAGQQZHFHJDIRE-BNFZFUHLSA-N |
| External Identifiers | ChEMBL [CHEMBL271242]; PubChem [5318516]; |
| Reference of Component-Ingredient Pair | 24077682 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH158 | Piper longum | Bi Ba | 荜茇 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2715 | Ardisia japonica | Zi Jin Niu | 紫金牛 |
| TCMH587 | Piper kadsura | Feng Teng | 风藤 |
| TCMH64 | Piper nigrum | Bai Hu Jiao | 白胡椒 |
| TCMH776 | Piper kadsura | Hai Feng Teng | 海风藤 |
| TCMH839 | Piper nigrum | Hei Hu Jiao | 黑胡椒 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC1832
Formula: C16H30O2
Ingredient ID: TCMC1832
| Common Name | Palmitoleic Acid |
| IUPAC Name | (Z)-hexadec-9-enoic acid |
| Canonical SMILES | CCCCCC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- |
| Standard InCHIKey | SECPZKHBENQXJG-FPLPWBNLSA-N |
| External Identifiers | ChEMBL [CHEMBL453509]; PubChem [445638]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
Showing 1 to 10 of 80 entries
Ingredient ID: TCMC1830
Formula: C16H32O2
Ingredient ID: TCMC1830
| Common Name | Palmitic Acid |
| IUPAC Name | hexadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) |
| Standard InCHIKey | IPCSVZSSVZVIGE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL82293]; PubChem [985]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
Showing 1 to 10 of 274 entries
Ingredient ID: 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: 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: TCMC1785
Formula: C18H35NO
Ingredient ID: TCMC1785
| Common Name | Oleamide |
| IUPAC Name | (Z)-octadec-9-enamide |
| Canonical SMILES | CCCCCCCC/C=CCCCCCCCC(=N)O |
| Standard InCHI | InChI=1S/C18H35NO/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,(H2,19,20)/b10-9- |
| Standard InCHIKey | FATBGEAMYMYZAF-KTKRTIGZSA-N |
| External Identifiers | ChEMBL [CHEMBL15927]; PubChem [5283387]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1766
Formula: C16H13N
Ingredient ID: TCMC1766
| Common Name | N-Phenylnaphthalen-2-Amine |
| IUPAC Name | N-phenylnaphthalen-2-amine |
| Canonical SMILES | c1ccc(cc1)Nc1ccc2c(c1)cccc2 |
| Standard InCHI | InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H |
| Standard InCHIKey | KEQFTVQCIQJIQW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1543632]; PubChem [8679]; |
| Reference of Component-Ingredient Pair | 15938142 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1611
Formula: C14H28O2
Ingredient ID: TCMC1611
| Common Name | Myristic Acid |
| IUPAC Name | tetradecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) |
| Standard InCHIKey | TUNFSRHWOTWDNC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL111077]; PubChem [11005]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
Showing 1 to 10 of 123 entries
Ingredient ID: TCMC1601
Formula: C25H24O6
Ingredient ID: TCMC1601
| Common Name | Morusin |
| IUPAC Name | 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one |
| Canonical SMILES | CC(=CCc1c(oc2c(c1=O)c(O)cc1c2C=CC(O1)(C)C)c1ccc(cc1O)O)C |
| Standard InCHI | InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3 |
| Standard InCHIKey | XFFOMNJIDRDDLQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL464006]; PubChem [5281671]; |
| Reference of Component-Ingredient Pair | 21434689 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH74 | Patrinia villosa | Bai Jiang | 败酱 |
| TCMH76 | Thlaspi arvense | Bai Jiang Cao | 败酱草 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1578
Formula: C11H14O2
Ingredient ID: TCMC1578
| Common Name | Methyleugenol |
| IUPAC Name | 1,2-dimethoxy-4-prop-2-enylbenzene |
| Canonical SMILES | C=CCc1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3 |
| Standard InCHIKey | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL108861]; PubChem [7127]; |
| Reference of Component-Ingredient Pair | 28326452 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 66 entries
Ingredient ID: TCMC1537
Formula: C30H48O4
Ingredient ID: TCMC1537
| Common Name | Maslinic Acid |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-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]1C[C@@]2(C)[C@H](C([C@H]1O)(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 |
| Standard InCHI | InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | MDZKJHQSJHYOHJ-LLICELPBSA-N |
| External Identifiers | ChEMBL [CHEMBL201515]; PubChem [73659]; |
| Reference of Component-Ingredient Pair | 22816768 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH1615 | Eriobotrya japonica | Pi Ba Ren | 枇杷仁 |
| TCMH1854 | Crataegi folium | Shan Zha Ye | 山楂叶 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 25 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: TCMC1512
Formula: C9H11NO2
Ingredient ID: TCMC1512
| Common Name | L-Phenylalanine |
| IUPAC Name | (2S)-2-azaniumyl-3-phenylpropanoate |
| Canonical SMILES | N[C@H](C(=O)O)Cc1ccccc1 |
| Standard InCHI | InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 |
| Standard InCHIKey | COLNVLDHVKWLRT-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [CHEMBL301523]; PubChem [6925665]; |
| Reference of Component-Ingredient Pair | 19212411 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1667 | Fagopyrum esculentum | Qiao Mai | 荞麦 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
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: TCMC1480
Formula: C5H9NO4
Ingredient ID: TCMC1480
| Common Name | L-Glutamate |
| IUPAC Name | (2S)-2-azaniumyl-5-hydroxy-5-oxopentanoate |
| Canonical SMILES | OC(=O)CC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 |
| Standard InCHIKey | WHUUTDBJXJRKMK-VKHMYHEASA-N |
| External Identifiers | ChEMBL [CHEMBL575060]; PubChem [44272391]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| 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 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
Showing 1 to 10 of 23 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: TCMC1409
Formula: C21H20O12
Ingredient ID: TCMC1409
| Common Name | Isoquercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(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](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-QSOFNFLRSA-N |
| External Identifiers | ChEMBL [CHEMBL250450]; PubChem [5280804]; |
| Reference of Component-Ingredient Pair | 22667148 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1198 | Rostellularia procumbens | Jue Chuang | 爵床 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Showing 1 to 10 of 161 entries
Ingredient ID: TCMC1407
Formula: C17H34O2
Ingredient ID: TCMC1407
| Common Name | Isopropyl Myristate |
| IUPAC Name | propan-2-yl tetradecanoate |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)OC(C)C |
| Standard InCHI | InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3 |
| Standard InCHIKey | AXISYYRBXTVTFY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL207602]; PubChem [8042]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1389
Formula: C10H12O2
Ingredient ID: TCMC1389
| Common Name | Isoeugenol |
| IUPAC Name | 2-methoxy-4-[(E)-prop-1-enyl]phenol |
| Canonical SMILES | C/C=C/c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+ |
| Standard InCHIKey | BJIOGJUNALELMI-ONEGZZNKSA-N |
| External Identifiers | ChEMBL [CHEMBL193598]; PubChem [853433]; |
| Reference of Component-Ingredient Pair | 27986436 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| 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 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
Showing 1 to 10 of 39 entries
Ingredient ID: TCMC1385
Formula: C4H10O
Ingredient ID: TCMC1385
| Common Name | Isobutanol |
| IUPAC Name | 2-methylpropan-1-ol |
| Canonical SMILES | OCC(C)C |
| Standard InCHI | InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 |
| Standard InCHIKey | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL269630]; PubChem [6560]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1495 | Gossypium herbaceum | Mian Hua Gen | 棉花根 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
| TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
Showing 1 to 10 of 10 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: TCMC1331
Formula: C6H9N3O2
Ingredient ID: TCMC1331
| Common Name | Histidine |
| IUPAC Name | (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid |
| Canonical SMILES | N[C@H](C(=O)O)Cc1cnc[nH]1 |
| Standard InCHI | InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 |
| Standard InCHIKey | HNDVDQJCIGZPNO-YFKPBYRVSA-N |
| External Identifiers | ChEMBL [CHEMBL17962]; PubChem [6274]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| 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 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH2375 | Trigonella foenum-graecum | Yan Hu Lu Ba | 盐胡芦巴 |
Showing 1 to 10 of 18 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: TCMC1203
Formula: C8H8O5
Ingredient ID: TCMC1203
| Common Name | Gallic Acid Methyl Ester |
| IUPAC Name | methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | COC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3 |
| Standard InCHIKey | FBSFWRHWHYMIOG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL65675]; PubChem [7428]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1493 | Euphorbia pekinensis | Mian Da Ji | 绵大戟 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC1202
Formula: C7H6O5
Ingredient ID: TCMC1202
| Common Name | Gallic Acid |
| IUPAC Name | 3,4,5-trihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
| Standard InCHIKey | LNTHITQWFMADLM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL288114]; PubChem [370]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| 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 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC1197
Formula: C5H4O2
Ingredient ID: TCMC1197
| Common Name | Furfural |
| IUPAC Name | furan-2-carbaldehyde |
| Canonical SMILES | O=Cc1ccco1 |
| Standard InCHI | InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H |
| Standard InCHIKey | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL189362]; PubChem [7362]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Showing 1 to 10 of 76 entries
Ingredient ID: TCMC1170
Formula: C38H42N2O6
Ingredient ID: TCMC1170
| Common Name | Fanchinin |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C |
| Standard InCHI | InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1 |
| Standard InCHIKey | WVTKBKWTSCPRNU-KYJUHHDHSA-N |
| External Identifiers | ChEMBL [CHEMBL176045]; PubChem [73078]; |
| Reference of Component-Ingredient Pair | 21811889 |
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: TCMC1158
Formula: C41H30O26
Ingredient ID: TCMC1158
| Common Name | Eugeniin |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H](O[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)OC2)cc(c(c1O)O)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1 |
| Standard InCHIKey | JCGHAEBIBSEQAD-UUUCSUBKSA-N |
| External Identifiers | ChEMBL [CHEMBL450745]; PubChem [442679]; |
| Reference of Component-Ingredient Pair | 24227299 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
| TCMH1939 | Combretum indicum | Shi Jun Zi Ren | 使君子仁 |
| TCMH258 | Paeonia obovata | Chi Shao | 赤芍 |
| TCMH462 | Sanguisorba officinalis | Di Yu | 地榆 |
| TCMH463 | Sanguisorba officinalis | Di Yu Tan | 地榆炭 |
| TCMH486 | Syzygium aromaticum | Ding Xiang | 丁香 |
| TCMH685 | Syzygium aromaticum | Gong Ding Xiang | 公丁香 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1149
Formula: C9H10O3
Ingredient ID: TCMC1149
| Common Name | Ethyl Vanillin |
| IUPAC Name | 3-ethoxy-4-hydroxybenzaldehyde |
| Canonical SMILES | CCOc1cc(C=O)ccc1O |
| Standard InCHI | InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3 |
| Standard InCHIKey | CBOQJANXLMLOSS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL508676]; PubChem [8467]; |
| Reference of Component-Ingredient Pair | 22315575 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1144
Formula: C4H8O2
Ingredient ID: TCMC1144
| Common Name | Ethyl Acetate |
| IUPAC Name | ethyl acetate |
| Canonical SMILES | CCOC(=O)C |
| Standard InCHI | InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3 |
| Standard InCHIKey | XEKOWRVHYACXOJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14152]; PubChem [8857]; |
| Reference of Component-Ingredient Pair | 23680158 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH2129 | Eupolyphaga sinensis | Tu Bie Chong | 土鳖虫 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC1141
Formula: C20H34O2
Ingredient ID: TCMC1141
| Common Name | Ethyl (9E,12E,15E)-Octadeca-9,12,15-Trienoate |
| IUPAC Name | ethyl (9E,12E,15E)-octadeca-9,12,15-trienoate |
| Canonical SMILES | CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OCC |
| Standard InCHI | InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5+,9-8+,12-11+ |
| Standard InCHIKey | JYYFMIOPGOFNPK-XSHSMGBESA-N |
| External Identifiers | ChEMBL [CHEMBL1527567]; PubChem [6371716]; |
| Reference of Component-Ingredient Pair | 17679444 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1979 | Flos lonicerae | Shuang Hua | 双花 |
| TCMH2086 | Trichosanthes kirilowii | Tian Hua Fen | 天花粉 |
| TCMH607 | Exodermis poria | Fu Ling Pi | 茯苓皮 |
| TCMH705 | Trichosanthes kirilowii | Gua Lou | 瓜蒌 |
| TCMH706 | Trichosanthes kirilowii | Gua Lou Pi | 瓜蒌皮 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC112
Formula: C15H20O4
Ingredient ID: TCMC112
| Common Name | (3S,3As,5Ar,9R,9As,9Bs)-9-Hydroxy-3,5A,9-Trimethyl-3,3A,4,5,9A,9B-Hexahydrobenzo[G][1]Benzofuran-2,6-Dione |
| IUPAC Name | (3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g][1]benzofuran-2,6-dione |
| Canonical SMILES | C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@](C)(O)C=CC1=O)C |
| Standard InCHI | InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1 |
| Standard InCHIKey | NGPDZEACIWDCKX-WUDKWMPASA-N |
| External Identifiers | ChEMBL [CHEMBL1422618]; PubChem [94253]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
| TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
| TCMH525 | Eucommia ulmoides | Du Zhong Tan | 杜仲炭 |
| TCMH526 | Eucommia ulmoides | Du Zhong Ye | 杜仲叶 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1101
Formula: C11H12O3
Ingredient ID: TCMC1101
| Common Name | Elemicin |
| IUPAC Name | 4-methoxy-6-prop-2-enyl-1,3-benzodioxole |
| Canonical SMILES | C=CCc1cc(OC)c2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3 |
| Standard InCHIKey | BNWJOHGLIBDBOB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL481044]; PubChem [4276]; |
| Reference of Component-Ingredient Pair | 29174417 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1551 | Asarum forbesii | Nan Xi Xin | 南细辛 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC1081
Formula: C12H24O2
Ingredient ID: TCMC1081
| Common Name | Dodecanoate |
| IUPAC Name | dodecanoic acid |
| Canonical SMILES | CCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) |
| Standard InCHIKey | POULHZVOKOAJMA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL108766]; PubChem [3893]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1075
Formula: C6H13NO2
Ingredient ID: TCMC1075
| Common Name | D-Leucine |
| IUPAC Name | (2R)-2-amino-4-methylpentanoic acid |
| 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-/m1/s1 |
| Standard InCHIKey | ROHFNLRQFUQHCH-RXMQYKEDSA-N |
| External Identifiers | ChEMBL [CHEMBL1232258]; PubChem [439524]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH382 | Allium sativum | Da Suan | 大蒜 |
| TCMH536 | Centipeda minima | E Bu Shi Cao | 鹅不食草 |
| TCMH537 | Centipeda minima | E Bu Shi Cao Nong Suo Ye | 鹅不食草浓缩液 |
| TCMH79 | Sinapis alba | Bai Jie Zi | 白芥子 |
Showing 1 to 9 of 9 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 |
| TCMC1075 | C6H13NO2 | D-Leucine | 131.09 | -0.3183 | 1.79 | -1.389 | 3 | 2 | 63.32 | 7 | 0 | 9 | 0 |
| TCMC1081 | C12H24O2 | Dodecanoate | 200.18 | -2.7457 | 2.56 | 5.294 | 2 | 1 | 37.3 | 12 | 0 | 14 | 1 |
| TCMC1101 | C11H12O3 | Elemicin | 192.08 | 0.6742 | 2.34 | 2.486 | 0 | 0 | 27.69 | 4 | 2 | 14 | 0 |
| TCMC112 | C15H20O4 | (3S,3As,5Ar,9R,9As,9Bs)-9-Hydroxy-3,5A,9-Trimethyl-3,3A,4,5,9A,9B-Hexahydrobenzo[G][1]Benzofuran-2,6-Dione | 264.14 | 0.1947 | 2.67 | 0.605 | 4 | 1 | 63.6 | 4 | 3 | 19 | 0 |
| TCMC1141 | C20H34O2 | Ethyl (9E,12E,15E)-Octadeca-9,12,15-Trienoate | 306.26 | 0.4035 | 3.44 | 8.282 | 2 | 0 | 26.3 | 17 | 0 | 22 | 2 |
| TCMC1144 | C4H8O2 | Ethyl Acetate | 88.05 | 0.2715 | 1.68 | 0.664 | 2 | 0 | 26.3 | 4 | 0 | 6 | 0 |
| TCMC1149 | C9H10O3 | Ethyl Vanillin | 166.06 | -0.4541 | 2.12 | 1.463 | 1 | 1 | 46.53 | 5 | 1 | 12 | 0 |
| TCMC1158 | C41H30O26 | Eugeniin | 938.1 | -7.5719 | 3.11 | -0.135 | 11 | 15 | 444.18 | 24 | 7 | 67 | 2 |
| TCMC1159 | C10H12O2 | Eugenol | 164.08 | 0.5166 | 2.34 | 2.484 | 0 | 1 | 29.46 | 5 | 1 | 12 | 0 |
Showing 1 to 10 of 119 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
