Description of the Component
Component ID |
TCMH363 |
Latin Name |
Rheum officinale |
English Name |
Medicinal rhubarb |
Chinese Pinyin Name |
Da Huang |
中文名 |
大黄 |
TCM Properties |
Cold,Bitter |
TCM Meridians |
Spleen,Large Intestine,Stomach,Liver,Heart |
Therapeutic Class English |
Purging |
Therapeutic Class Chinese |
泻下 |
Functions |
cause catharsis and purge away heat, reduce heat in blood and counteract toxicity, and eliminate blood stasis and stimulate menstrual discharge |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Sichuan Province,Chongqing，Qinghai Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAJ4685-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF100 | Niu Huang Qing Gong Pills | 牛黄清宫丸 |
| TCMF1038 | Die Da Zhen Tong Ointment | 跌打镇痛膏 |
| TCMF1047 | Shu Dan Capsule | 舒胆胶囊 |
| TCMF1063 | Ma Ren Pills | 麻仁丸 |
| TCMF1064 | Ma Ren Zi Pi Pills | 麻仁滋脾丸 |
| TCMF1068 | Zhi Kang Tablet | 痔康片 |
| TCMF1088 | Qing Lin Granules | 清淋颗粒 |
| TCMF1198 | Juan Xiao Tablet | 蠲哮片 |
| TCMF1264 | Compound Oral Liquid of Isatis Leaf | 复方大青叶合剂 |
| TCMF1320 | Pill for Purging Liver Fire; Fire Cathartic Pill | 泻青丸 |
Showing 1 to 10 of 719 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 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT114 | CNR2 | Cannabinoid CB2 receptor | GPCR | P34972 |
| TCMT115 | CNR1 | Cannabinoid CB1 receptor | GPCR | P21554 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
Showing 1 to 10 of 127 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1086 | Isocitrate lyase |
| 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 |
| TCMT1108 | Integrase |
| TCMT1136 | Neuraminidase |
| TCMT1170 | Enterobacter cloacae |
Showing 1 to 10 of 37 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: TCMC921
Formula: C14H12O3
Ingredient ID: TCMC921
| Common Name | Cis-Resveratrol |
| IUPAC Name | 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
| Canonical SMILES | Oc1ccc(cc1)/C=Cc1cc(O)cc(c1)O |
| Standard InCHI | InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1- |
| Standard InCHIKey | LUKBXSAWLPMMSZ-UPHRSURJSA-N |
| External Identifiers | ChEMBL [CHEMBL87333]; PubChem [1548910]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1875 | Ampelopsis brevipedunculata | She Pu Tao | 蛇葡萄 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2134 | Smilax glabra | Tu Fu Ling | 土茯苓 |
| TCMH2218 | Rubia cordifolia | Qian Cao Teng | 茜草藤 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC916
Formula: C9H8O2
Ingredient ID: TCMC916
| Common Name | Cinnamic Acid |
| IUPAC Name | (E)-3-phenylprop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccccc1 |
| Standard InCHI | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ |
| Standard InCHIKey | WBYWAXJHAXSJNI-VOTSOKGWSA-N |
| External Identifiers | ChEMBL [CHEMBL27246]; PubChem [444539]; |
| Reference of Component-Ingredient Pair | 16497524 |
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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 72 entries
Ingredient ID: TCMC913
Formula: C15H14O6
Ingredient ID: TCMC913
| Common Name | Cianidanol |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 |
| Standard InCHIKey | PFTAWBLQPZVEMU-DZGCQCFKSA-N |
| External Identifiers | ChEMBL [CHEMBL311498]; PubChem [9064]; |
| Reference of Component-Ingredient Pair | 26452509 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| 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 134 entries
Ingredient ID: TCMC912
Formula: C15H10O4
Ingredient ID: TCMC912
| Common Name | Chrysophanol |
| IUPAC Name | 1,8-dihydroxy-3-methylanthracene-9,10-dione |
| Canonical SMILES | Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1 |
| Standard InCHI | InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3 |
| Standard InCHIKey | LQGUBLBATBMXHT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL41092]; PubChem [10208]; |
| Reference of Component-Ingredient Pair | 29045746 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC879
Formula: C22H18O10
Ingredient ID: TCMC879
| Common Name | Catechin Gallate |
| IUPAC Name | [(2R,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-PZJWPPBQSA-N |
| External Identifiers | ChEMBL [CHEMBL483083]; PubChem [5276454]; |
| 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 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2641 | Gardenia jasminoides | Zhi Zi | 栀子 |
| TCMH2642 | Gardenia jasminoides | Zhi Zi Jin Gao | 栀子浸膏 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH86 | Ampelopsis japonica | Bai Lian | 白蔹 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC878
Formula: C15H14O6
Ingredient ID: TCMC878
| Common Name | Catechin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2OC(c3ccc(c(c3)O)O)C(Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 |
| Standard InCHIKey | PFTAWBLQPZVEMU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL206452]; PubChem [1203]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| 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 |
| 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 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
Showing 1 to 10 of 92 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: TCMC841
Formula: C10H10O
Ingredient ID: TCMC841
| Common Name | Butenone |
| IUPAC Name | (E)-4-phenylbut-3-en-2-one |
| Canonical SMILES | CC(=O)/C=C/c1ccccc1 |
| Standard InCHI | InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+ |
| Standard InCHIKey | BWHOZHOGCMHOBV-BQYQJAHWSA-N |
| External Identifiers | ChEMBL [CHEMBL73639]; PubChem [637759]; |
| Reference of Component-Ingredient Pair | 8612205 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
| TCMH989 | Scutellaria baicalensis | Huang Qin Jin Gao | 黄芩浸膏 |
| TCMH990 | Scutellaria baicalensis | Huang Qin Jin Gao Fen | 黄芩浸膏粉 |
| TCMH992 | Scutellaria baicalensis | Huang Qin Tan | 黄芩炭 |
Showing 1 to 8 of 8 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: TCMC756
Formula: C21H18O11
Ingredient ID: TCMC756
| Common Name | Baicalin |
| IUPAC Name | (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Canonical SMILES | OC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 |
| Standard InCHIKey | IKIIZLYTISPENI-ZFORQUDYSA-N |
| External Identifiers | ChEMBL [CHEMBL485818]; PubChem [64982]; |
| Reference of Component-Ingredient Pair | 27019979 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC755
Formula: C15H10O5
Ingredient ID: TCMC755
| Common Name | Baicalein |
| IUPAC Name | 5,6,7-trihydroxy-2-phenylchromen-4-one |
| Canonical SMILES | Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1 |
| Standard InCHI | InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H |
| Standard InCHIKey | FXNFHKRTJBSTCS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL8260]; PubChem [5281605]; |
| Reference of Component-Ingredient Pair | 25349334 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH1865 | Paeonia obovata | Shao Yao | 芍药 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
| TCMH2077 | Prunus persica | Tao Zhi | 桃枝 |
| TCMH258 | Paeonia obovata | Chi Shao | 赤芍 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC741
Formula: C14H8O4
Ingredient ID: TCMC741
| Common Name | Athraquinones A |
| IUPAC Name | 1,2-dihydroxyanthracene-9,10-dione |
| Canonical SMILES | O=C1c2ccccc2C(=O)c2c1ccc(c2O)O |
| Standard InCHI | InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H |
| Standard InCHIKey | RGCKGOZRHPZPFP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL55814]; PubChem [6293]; |
| Reference of Component-Ingredient Pair | 23684558 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2218 | Rubia cordifolia | Qian Cao Teng | 茜草藤 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH921 | Polygonum cuspidatum | Hu Zhang | 虎杖 |
| TCMH970 | Vitex negundo | Huang Jing Zi | 黄荆子 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC7142
Formula: C13H14O4
Ingredient ID: TCMC7142
| Common Name | 7-Hydroxy-2-(2-Hydroxy)Propyl-5-Methyl-Benzopyran-Γ-One |
| IUPAC Name | 7-hydroxy-2-[(2R)-2-hydroxypropyl]-5-methylchromen-4-one |
| Canonical SMILES | C[C@H](Cc1cc(=O)c2c(o1)cc(cc2C)O)O |
| Standard InCHI | InChI=1S/C13H14O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,8,14-15H,4H2,1-2H3/t8-/m1/s1 |
| Standard InCHIKey | ZYCNQWOKCMJKEZ-MRVPVSSYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101601756]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC706
Formula: C14H8O2
Ingredient ID: TCMC706
| Common Name | Anthraquinone |
| IUPAC Name | anthracene-9,10-dione |
| Canonical SMILES | O=C1c2ccccc2C(=O)c2c1cccc2 |
| Standard InCHI | InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H |
| Standard InCHIKey | RZVHIXYEVGDQDX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL55659]; PubChem [6780]; |
| Reference of Component-Ingredient Pair | 23122067 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1706 | Dianthus superbus | Qu Mai | 瞿麦 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH921 | Polygonum cuspidatum | Hu Zhang | 虎杖 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC704
Formula: C14H8O4
Ingredient ID: TCMC704
| Common Name | Anthraflavicacid |
| IUPAC Name | 2,6-dihydroxyanthracene-9,10-dione |
| Canonical SMILES | Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O |
| Standard InCHI | InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H |
| Standard InCHIKey | APAJFZPFBHMFQR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL298398]; PubChem [6776]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6748
Formula: C42H40O19
Ingredient ID: TCMC6748
| Common Name | Sennoside C |
| IUPAC Name | (9R)-4-hydroxy-9-[(9R)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid |
| Canonical SMILES | OCc1cc(O)c2c(c1)[C@H]([C@@H]1c3cccc(c3C(=O)c3c1cc(cc3O)C(=O)[O-])O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(ccc1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/p-1/t24-,25-,26-,27-,32-,33-,36+,37+,38-,39-,41-,42-/m1/s1 |
| Standard InCHIKey | ZFWOUNNKSHIAFK-RDAFFBQNSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [46173829]; |
| Reference of Component-Ingredient Pair | 7280090 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6714
Formula: C30H22O7
Ingredient ID: TCMC6714
| Common Name | Palmidin C |
| IUPAC Name | (10R)-10-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one |
| Canonical SMILES | Cc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cccc(c3C(=O)c3c1cc(C)cc3O)O)c1c(C2=O)c(O)cc(c1)O |
| Standard InCHI | InChI=1S/C30H22O7/c1-12-6-16-23(15-4-3-5-19(32)25(15)29(36)26(16)20(33)8-12)24-17-7-13(2)9-21(34)27(17)30(37)28-18(24)10-14(31)11-22(28)35/h3-11,23-24,31-35H,1-2H3/t23-,24-/m1/s1 |
| Standard InCHIKey | VUUFXTUVVIEIMH-DNQXCXABSA-N |
| External Identifiers | ChEMBL [CHEMBL463459]; PubChem [44567181]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC665
Formula: C21H22O9
Ingredient ID: TCMC665
| Common Name | Aloin B |
| IUPAC Name | (10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one |
| Canonical SMILES | OCc1cc(O)c2c(c1)[C@H]([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(O)ccc1 |
| Standard InCHI | InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1 |
| Standard InCHIKey | AFHJQYHRLPMKHU-WEZNYRQKSA-N |
| External Identifiers | ChEMBL [CHEMBL3617994]; PubChem [14989]; |
| Reference of Component-Ingredient Pair | 29242133 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC664
Formula: C21H22O9
Ingredient ID: TCMC664
| Common Name | Aloin |
| IUPAC Name | 1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one |
| Canonical SMILES | OCc1cc(O)c2c(c1)C([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(O)ccc1 |
| Standard InCHI | InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1 |
| Standard InCHIKey | AFHJQYHRLPMKHU-CGISPIQUSA-N |
| External Identifiers | ChEMBL [CHEMBL497001]; PubChem [9866696]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC663
Formula: C15H10O5
Ingredient ID: TCMC663
| Common Name | Aloe-Emodin |
| IUPAC Name | 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione |
| Canonical SMILES | OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1 |
| Standard InCHI | InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2 |
| Standard InCHIKey | YDQWDHRMZQUTBA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL40275]; PubChem [10207]; |
| Reference of Component-Ingredient Pair | 24854283 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH2335 | Hemerocallis fulva | Xuan Cao Gen | 萱草根 |
| TCMH2445 | Cassia angustifolia | Yang Xie | 洋泻 |
| TCMH2505 | Siphonostegia chinensis | Yin Xing Cao | 阴行草 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC6503
Formula: C36H36O17
Ingredient ID: TCMC6503
| Common Name | Procyanidin B1-6-C-Β-D-Glucopyranoside |
| IUPAC Name | (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)[C@@H]([C@H]([C@H](O2)c1ccc(c(c1)O)O)O)c1c(O)cc(c2c1O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)O |
| Standard InCHI | InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23+,27-,28+,30+,31-,32+,33+,34+,36-/m0/s1 |
| Standard InCHIKey | VRCSTDIDMJHJBX-ZUVQFHENSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21636073]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6158
Formula: C12H10O5
Ingredient ID: TCMC6158
| Common Name | 2-Methyl-5-Carboxymethyl-7-Hydroxychromone |
| IUPAC Name | 2-(7-hydroxy-2-methyl-4-oxochromen-5-yl)acetic acid |
| Canonical SMILES | [O-]C(=O)Cc1cc(O)cc2c1c(=O)cc(o2)C |
| Standard InCHI | InChI=1S/C12H10O5/c1-6-2-9(14)12-7(4-11(15)16)3-8(13)5-10(12)17-6/h2-3,5,13H,4H2,1H3,(H,15,16)/p-1 |
| Standard InCHIKey | AWGUDSPRBOCEJK-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [14429402]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6028
Formula: C27H30O16
Ingredient ID: TCMC6028
| Common Name | Rheinoside B |
| IUPAC Name | (9S)-4,9-dihydroxy-10-oxo-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(O)cc(cc2[C@]3(O)[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H30O16/c28-6-13-17(31)20(34)22(36)24(41-13)27(40)9-2-1-3-12(42-26-23(37)21(35)18(32)14(7-29)43-26)16(9)19(33)15-10(27)4-8(25(38)39)5-11(15)30/h1-5,13-14,17-18,20-24,26,28-32,34-37,40H,6-7H2,(H,38,39)/p-1/t13-,14-,17-,18-,20+,21+,22-,23-,24-,26-,27+/m1/s1 |
| Standard InCHIKey | OJZWDOKDQBCANR-FBSQOZSHSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [13888125]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5974
Formula: C42H40O19
Ingredient ID: TCMC5974
| Common Name | Sennosided |
| IUPAC Name | 4-hydroxy-9-[4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid |
| Canonical SMILES | OCc1cc(O)c2c(c1)C(C1c3cccc(c3C(=O)c3c1cc(cc3O)C(=O)[O-])OC1OC(CO)C(C(C1O)O)O)c1c(C2=O)c(ccc1)OC1OC(CO)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/p-1 |
| Standard InCHIKey | ZFWOUNNKSHIAFK-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [12821233]; |
| Reference of Component-Ingredient Pair | 7280090 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5973
Formula: C37H30O16
Ingredient ID: TCMC5973
| Common Name | Procyanidin B1 3'-O-Gallate |
| IUPAC Name | [(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-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]([C@H]2c1c(O)cc(c2c1O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C37H30O16/c38-16-9-23(44)29-28(10-16)51-34(14-2-4-19(40)22(43)6-14)36(53-37(50)15-7-25(46)32(49)26(47)8-15)31(29)30-24(45)12-20(41)17-11-27(48)33(52-35(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,27,31,33-34,36,38-49H,11H2/t27-,31+,33+,34+,36+/m0/s1 |
| Standard InCHIKey | BXWABJPTCUDBMM-NNJCKQBNSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12795888]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5853
Formula: C23H18O14
Ingredient ID: TCMC5853
| Common Name | Rhein-8-O-Β-D-(6'-Oxalyl)-Glucopyra-Noside |
| IUPAC Name | 4-hydroxy-9,10-dioxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(oxalooxymethyl)oxan-2-yl]oxyanthracene-2-carboxylic acid |
| Canonical SMILES | O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)COC(=O)C(=O)[O-])Oc1cccc2c1C(=O)c1c(C2=O)cc(cc1O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C23H18O14/c24-10-5-7(20(30)31)4-9-13(10)17(27)14-8(15(9)25)2-1-3-11(14)36-23-19(29)18(28)16(26)12(37-23)6-35-22(34)21(32)33/h1-5,12,16,18-19,23-24,26,28-29H,6H2,(H,30,31)(H,32,33)/p-2/t12-,16-,18+,19-,23-/m1/s1 |
| Standard InCHIKey | DQJNCXBYABUAPU-ASFVZVPISA-L |
| External Identifiers | ChEMBL [N/A]; PubChem [11972451]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5846
Formula: C20H20O14
Ingredient ID: TCMC5846
| Common Name | Gallic Acid-4-O-(6'-O-Galloyl)-Glucoside |
| IUPAC Name | 3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid |
| Canonical SMILES | O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]1O)Oc1c(O)cc(cc1O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C20H20O14/c21-8-3-7(4-9(22)13(8)25)19(31)32-5-12-14(26)15(27)16(28)20(33-12)34-17-10(23)1-6(18(29)30)2-11(17)24/h1-4,12,14-16,20-28H,5H2,(H,29,30)/p-1/t12-,14-,15+,16-,20+/m1/s1 |
| Standard InCHIKey | YWUUUONTCOYVTR-CTXHMNPMSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [11972354]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5841
Formula: C15H18O7
Ingredient ID: TCMC5841
| Common Name | 2-Cinnamoyl-Glucose |
| IUPAC Name | [(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)/C=C/c1ccccc1 |
| Standard InCHI | InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(15(20)21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+/t10-,12-,13+,14-,15-/m1/s1 |
| Standard InCHIKey | POOVYWIYTSHEES-QHAFYCPUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11972309]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5838
Formula: C20H22O9
Ingredient ID: TCMC5838
| Common Name | 3,4,3',5'-Tetrahydroxystilbene-3-Glucoside |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(ccc2O)/C=C/c2cc(O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-7-10(3-4-14(15)24)1-2-11-5-12(22)8-13(23)6-11/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1 |
| Standard InCHIKey | UMGCIIXWEFTPOC-CUYWLFDKSA-N |
| External Identifiers | ChEMBL [CHEMBL109802]; PubChem [11968990]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5650
Formula: C30H26O12
Ingredient ID: TCMC5650
| Common Name | Procyanidin B1 |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@@H]([C@@H]([C@H]2c1c(O)cc(c2c1O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1 |
| Standard InCHIKey | XFZJEEAOWLFHDH-UKWJTHFESA-N |
| External Identifiers | ChEMBL [CHEMBL504937]; PubChem [11250133]; |
| Reference of Component-Ingredient Pair | 26037075 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC548
Formula: C28H34O15
Ingredient ID: TCMC548
| Common Name | 5-Hydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-7-[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl]Oxan-2-Yl]Oxy-2,3-Dihydrochromen-4-One |
| IUPAC Name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3 |
| Standard InCHIKey | QUQPHWDTPGMPEX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1535112]; PubChem [3594]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC5386
Formula: C23H26O11
Ingredient ID: TCMC5386
| Common Name | Isolindleyin |
| IUPAC Name | [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2)CCC(=O)C)[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C23H26O11/c1-11(25)2-3-12-4-6-14(7-5-12)32-23-21(20(30)19(29)17(10-24)33-23)34-22(31)13-8-15(26)18(28)16(27)9-13/h4-9,17,19-21,23-24,26-30H,2-3,10H2,1H3/t17-,19-,20+,21-,23-/m1/s1 |
| Standard InCHIKey | KHUVRRVIZOSFTI-OXUVVOBNSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10390322]; |
| Reference of Component-Ingredient Pair | 23236758 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5127
Formula: C35H46O19
Ingredient ID: TCMC5127
| Common Name | Rheinosided |
| IUPAC Name | [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)OC)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O |
| Standard InCHI | InChI=1S/C35H46O19/c1-15-25(42)27(44)32(54-33-28(45)26(43)21(40)14-49-33)35(50-15)53-31-29(46)34(48-10-9-17-3-6-18(37)20(39)11-17)51-23(13-36)30(31)52-24(41)8-5-16-4-7-19(38)22(12-16)47-2/h3-8,11-12,15,21,23,25-40,42-46H,9-10,13-14H2,1-2H3/b8-5+/t15-,21+,23+,25-,26-,27+,28+,29+,30+,31+,32+,33-,34+,35-/m0/s1 |
| Standard InCHIKey | ZPJGTPAAEPXBQT-HNYHMTNLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6450124]; |
| Reference of Component-Ingredient Pair | 1367797 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5126
Formula: C34H44O19
Ingredient ID: TCMC5126
| Common Name | Rheinosideb |
| IUPAC Name | [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O |
| Standard InCHI | InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25-,26+,27+,28+,29+,30+,31+,32-,33+,34-/m0/s1 |
| Standard InCHIKey | UDHCHDJLZGYDDM-UVQMCPPLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6450096]; |
| Reference of Component-Ingredient Pair | 1366427 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5123
Formula: C35H46O19
Ingredient ID: TCMC5123
| Common Name | Rheinosidec |
| IUPAC Name | [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | OCC1OC(OCCc2ccc(c(c2)O)O)C(C(C1OC(=O)/C=C/c1ccc(c(c1)O)O)OC1OC(C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)O)O |
| Standard InCHI | InChI=1S/C35H46O19/c1-14-24(42)26(44)28(46)34(49-14)54-32-27(45)25(43)15(2)50-35(32)53-31-29(47)33(48-10-9-17-4-7-19(38)21(40)12-17)51-22(13-36)30(31)52-23(41)8-5-16-3-6-18(37)20(39)11-16/h3-8,11-12,14-15,22,24-40,42-47H,9-10,13H2,1-2H3/b8-5+ |
| Standard InCHIKey | BHIVONXIYZYGEJ-VMPITWQZSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6443993]; |
| Reference of Component-Ingredient Pair | 18404351 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5041
Formula: C29H26O15
Ingredient ID: TCMC5041
| Common Name | 1,6-Digalloyl-2-Cinnamoyl-Glucose |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-[(E)-3-phenylprop-2-enoyl]oxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O=C(O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)/C=C/c1ccccc1 |
| Standard InCHI | InChI=1S/C29H26O15/c30-16-8-14(9-17(31)22(16)35)27(39)41-12-20-24(37)25(38)26(43-21(34)7-6-13-4-2-1-3-5-13)29(42-20)44-28(40)15-10-18(32)23(36)19(33)11-15/h1-11,20,24-26,29-33,35-38H,12H2/b7-6+/t20-,24-,25+,26-,29+/m1/s1 |
| Standard InCHIKey | AKNNKSLRUQXXCZ-MUZYTARRSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6325082]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5037
Formula: C21H20O9
Ingredient ID: TCMC5037
| Common Name | Chrysophanol-1-O-Β-D-Glucoside |
| IUPAC Name | 8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(C)cc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | QKPDYSSHOSPOKH-JNHRPPPUSA-N |
| External Identifiers | ChEMBL [CHEMBL112709]; PubChem [6324923]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5035
Formula: C21H24O11
Ingredient ID: TCMC5035
| Common Name | (+)-Catechin-5-O-Glucoside |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)cc3c2C[C@H](O)[C@H](O3)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-5,13,16-29H,6-7H2/t13-,16+,17+,18-,19+,20+,21+/m0/s1 |
| Standard InCHIKey | ZESJTWVSXGZYTD-FBEISHDNSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6324898]; |
| Reference of Component-Ingredient Pair | 20112905 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4909
Formula: C20H22O8
Ingredient ID: TCMC4909
| Common Name | Resveratrol-4'-O-Β-D-Glucoside |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/c2cc(O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-5-3-11(4-6-15)1-2-12-7-13(22)9-14(23)8-12/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1 |
| Standard InCHIKey | RUOKEYJFAJITAG-CUYWLFDKSA-N |
| External Identifiers | ChEMBL [CHEMBL478753]; PubChem [5322089]; |
| Reference of Component-Ingredient Pair | 16497524 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4908
Formula: C27H26O12
Ingredient ID: TCMC4908
| Common Name | Resveratrol-4'-O-(6''-O-Galloyl)-Β-D-Glucopyranoside |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | Oc1cc(/C=C/c2ccc(cc2)O[C@@H]2O[C@H](COC(=O)c3cc(O)c(c(c3)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc(c1)O |
| Standard InCHI | InChI=1S/C27H26O12/c28-16-7-14(8-17(29)11-16)2-1-13-3-5-18(6-4-13)38-27-25(35)24(34)23(33)21(39-27)12-37-26(36)15-9-19(30)22(32)20(31)10-15/h1-11,21,23-25,27-35H,12H2/b2-1+/t21-,23-,24+,25-,27-/m1/s1 |
| Standard InCHIKey | HQQSMUBDNVIUPF-XMPPFBFMSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5322088]; |
| Reference of Component-Ingredient Pair | 7480203 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4892
Formula: C22H24O12
Ingredient ID: TCMC4892
| Common Name | Torachrysone-8-O-Β-D-(6'-Oxayl)-Glucoside |
| IUPAC Name | 2-[[(2R,3S,4S,5R,6S)-6-(7-acetyl-8-hydroxy-3-methoxy-6-methylnaphthalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoacetic acid |
| Canonical SMILES | COc1cc(O[C@@H]2O[C@H](COC(=O)C(=O)[O-])[C@H]([C@@H]([C@H]2O)O)O)c2c(c1)cc(c(c2O)C(=O)C)C |
| Standard InCHI | InChI=1S/C22H24O12/c1-8-4-10-5-11(31-3)6-12(15(10)17(25)14(8)9(2)23)33-22-19(27)18(26)16(24)13(34-22)7-32-21(30)20(28)29/h4-6,13,16,18-19,22,24-27H,7H2,1-3H3,(H,28,29)/p-1/t13-,16-,18+,19-,22-/m1/s1 |
| Standard InCHIKey | DVKQFBNYDILOTK-FSFQXNNFSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5321979]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4848
Formula: C21H18O11
Ingredient ID: TCMC4848
| Common Name | Rhein-8-O-Β-D-Glucopyranoside |
| IUPAC Name | 4-hydroxy-9,10-dioxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cc(cc2O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H18O11/c22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23/h1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30)/p-1/t12-,16-,18+,19-,21-/m1/s1 |
| Standard InCHIKey | WYKUTTFFZMQCGO-HTRBZNBPSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5320961]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4847
Formula: C15H14O4
Ingredient ID: TCMC4847
| Common Name | Rhapontigenin |
| IUPAC Name | 5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol |
| Canonical SMILES | COc1ccc(cc1O)/C=C/c1cc(O)cc(c1)O |
| Standard InCHI | InChI=1S/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+ |
| Standard InCHIKey | PHMHDRYYFAYWEG-NSCUHMNNSA-N |
| External Identifiers | ChEMBL [CHEMBL113029]; PubChem [5320954]; |
| Reference of Component-Ingredient Pair | 17692514 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4834
Formula: C28H32O15
Ingredient ID: TCMC4834
| Common Name | Physcion-8-O-Β-D-Gentiobioside |
| IUPAC Name | 1-hydroxy-3-methoxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(C)cc4c3C(=O)c3c(C4=O)cc(cc3O)OC)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C28H32O15/c1-9-3-11-18(22(34)17-12(19(11)31)5-10(39-2)6-13(17)30)14(4-9)41-28-26(38)24(36)21(33)16(43-28)8-40-27-25(37)23(35)20(32)15(7-29)42-27/h3-6,15-16,20-21,23-30,32-33,35-38H,7-8H2,1-2H3/t15-,16-,20-,21-,23+,24+,25-,26-,27-,28-/m1/s1 |
| Standard InCHIKey | LHWONDXFTUKXDH-BFTLVBKUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5320543]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4832
Formula: C16H22O7
Ingredient ID: TCMC4832
| Common Name | Phenylbutanone-Glucoside |
| IUPAC Name | 4-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2)CCC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1 |
| Standard InCHIKey | IDONYWHRKBUDOR-IBEHDNSVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5320521]; |
| Reference of Component-Ingredient Pair | 18711772 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4796
Formula: C19H22O8
Ingredient ID: TCMC4796
| Common Name | Musizin-8-O-Β-D-Glucoside |
| IUPAC Name | 1-[1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cccc3c2c(O)c(c(c3)C)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C19H22O8/c1-8-6-10-4-3-5-11(14(10)16(23)13(8)9(2)21)26-19-18(25)17(24)15(22)12(7-20)27-19/h3-6,12,15,17-20,22-25H,7H2,1-2H3/t12-,15-,17+,18-,19-/m1/s1 |
| Standard InCHIKey | FZUPKYUANHOYBD-JZXZQAMYSA-N |
| External Identifiers | ChEMBL [CHEMBL2204399]; PubChem [5319972]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4747
Formula: C12H12O5
Ingredient ID: TCMC4747
| Common Name | 2-Methyl-5-Carboxymethyl-7-Hydroxychromanone |
| IUPAC Name | 2-[(2S)-7-hydroxy-2-methyl-4-oxo-2,3-dihydrochromen-5-yl]acetic acid |
| Canonical SMILES | C[C@H]1CC(=O)c2c(O1)cc(cc2CC(=O)[O-])O |
| Standard InCHI | InChI=1S/C12H12O5/c1-6-2-9(14)12-7(4-11(15)16)3-8(13)5-10(12)17-6/h3,5-6,13H,2,4H2,1H3,(H,15,16)/p-1/t6-/m0/s1 |
| Standard InCHIKey | MONKQYHCNQSQHL-LURJTMIESA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5319543]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4713
Formula: C21H20O10
Ingredient ID: TCMC4713
| Common Name | Anthraglycoside B |
| IUPAC Name | 1,3-dihydroxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(C)cc3c2C(=O)c2c(C3=O)cc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O10/c1-7-2-9-15(18(27)14-10(16(9)25)4-8(23)5-11(14)24)12(3-7)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | ZXXFEBMBNPRRSI-JNHRPPPUSA-N |
| External Identifiers | ChEMBL [CHEMBL457945]; PubChem [5319333]; |
| Reference of Component-Ingredient Pair | 11233994 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4567
Formula: C13H16O10
Ingredient ID: TCMC4567
| Common Name | 6-O-Galloyl-Glucose |
| IUPAC Name | [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2/t7-,9-,10+,11-,13-/m1/s1 |
| Standard InCHIKey | VGVDLJNNDOFWKT-JEUROIALSA-N |
| External Identifiers | ChEMBL [CHEMBL518124]; PubChem [5317463]; |
| Reference of Component-Ingredient Pair | 21762084 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4469
Formula: C22H22O11
Ingredient ID: TCMC4469
| Common Name | 2-O-Cinnamoyl-Glucogallin |
| IUPAC Name | [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-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)OC(=O)/C=C/c1ccccc1 |
| Standard InCHI | InChI=1S/C22H22O11/c23-10-15-18(28)19(29)20(32-16(26)7-6-11-4-2-1-3-5-11)22(31-15)33-21(30)12-8-13(24)17(27)14(25)9-12/h1-9,15,18-20,22-25,27-29H,10H2/b7-6+/t15-,18-,19+,20-,22+/m1/s1 |
| Standard InCHIKey | FISMJUPMCGKNNX-PCGJYRBUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5315898]; |
| Reference of Component-Ingredient Pair | 21268249 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4467
Formula: C12H10O4
Ingredient ID: TCMC4467
| Common Name | 5-Acetyl-7-Hydroxy-2-Methylbenzopyran-Γ-One |
| IUPAC Name | 5-acetyl-7-hydroxy-2-methylchromen-4-one |
| Canonical SMILES | Oc1cc2oc(C)cc(=O)c2c(c1)C(=O)C |
| Standard InCHI | InChI=1S/C12H10O4/c1-6-3-10(15)12-9(7(2)13)4-8(14)5-11(12)16-6/h3-5,14H,1-2H3 |
| Standard InCHIKey | WFHGECVQFSCFBB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5315891]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4460
Formula: C11H8O5
Ingredient ID: TCMC4460
| Common Name | 5-Carboxy-7-Hydroxy-2-Methyl-Benzopyran-Γ-One |
| IUPAC Name | 7-hydroxy-2-methyl-4-oxochromene-5-carboxylic acid |
| Canonical SMILES | Oc1cc2oc(C)cc(=O)c2c(c1)C(=O)[O-] |
| Standard InCHI | InChI=1S/C11H8O5/c1-5-2-8(13)10-7(11(14)15)3-6(12)4-9(10)16-5/h2-4,12H,1H3,(H,14,15)/p-1 |
| Standard InCHIKey | ZCNVIPLKMDPDHM-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5315688]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4459
Formula: C17H18O10
Ingredient ID: TCMC4459
| Common Name | 5-Carboxy-7-Glucosyloxy-2-Methyl-Benzopyran-Γ-One |
| IUPAC Name | 2-methyl-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-5-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc3oc(C)cc(=O)c3c(c2)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C17H18O10/c1-6-2-9(19)12-8(16(23)24)3-7(4-10(12)25-6)26-17-15(22)14(21)13(20)11(5-18)27-17/h2-4,11,13-15,17-18,20-22H,5H2,1H3,(H,23,24)/p-1/t11-,13-,14+,15-,17-/m1/s1 |
| Standard InCHIKey | YXPDWQIPHUQHKB-OQAPJDJNSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5315687]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4291
Formula: C15H18O7
Ingredient ID: TCMC4291
| Common Name | 2-O-Cinnamoyl-Β-Glucose |
| IUPAC Name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+/t10-,12-,13+,14-,15+/m1/s1 |
| Standard InCHIKey | CJGRGYBLAHPYOM-HOLMNUNMSA-N |
| External Identifiers | ChEMBL [CHEMBL1215106]; PubChem [5280653]; |
| Reference of Component-Ingredient Pair | 19199591 |
Occurrence of the ingredient across TCM components
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: TCMC4088
Formula: C21H24O9
Ingredient ID: TCMC4088
| Common Name | Rhaponticin |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(c(c3)O)OC)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | GKAJCVFOJGXVIA-DXKBKAGUSA-N |
| External Identifiers | ChEMBL [CHEMBL109266]; PubChem [637213]; |
| Reference of Component-Ingredient Pair | 24197010 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4
Formula: C22H18O10
Ingredient ID: TCMC4
| Common Name | (-)-Catechingallate |
| IUPAC Name | [(2S,3R)-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+/m1/s1 |
| Standard InCHIKey | LSHVYAFMTMFKBA-CTNGQTDRSA-N |
| External Identifiers | ChEMBL [CHEMBL129451]; PubChem [6419835]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3994
Formula: C26H34O14
Ingredient ID: TCMC3994
| Common Name | Torachrysone8-O-Β-D-Glucopyranoside |
| IUPAC Name | 1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxynaphthalen-2-yl]ethanone |
| Canonical SMILES | COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)c2c(c1)cc(c(c2O)C(=O)C)C |
| Standard InCHI | InChI=1S/C26H34O14/c1-9-4-11-5-12(36-3)6-13(17(11)20(31)16(9)10(2)28)38-26-24(35)22(33)19(30)15(40-26)8-37-25-23(34)21(32)18(29)14(7-27)39-25/h4-6,14-15,18-19,21-27,29-35H,7-8H2,1-3H3/t14-,15-,18-,19-,21+,22+,23-,24-,25-,26-/m1/s1 |
| Standard InCHIKey | XCIHPNCERQKEMU-IFEXPISBSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [503732]; |
| Reference of Component-Ingredient Pair | 10478467 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3817
Formula: C20H20O14
Ingredient ID: TCMC3817
| Common Name | 1,6-Di-O-Galloyl-Β-Glucose |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]([C@H]1O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1 |
| Standard InCHIKey | LYGRISUQIZNHGM-IVABAYMNSA-N |
| External Identifiers | ChEMBL [CHEMBL522251]; PubChem [440221]; |
| Reference of Component-Ingredient Pair | 15503354 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3637
Formula: C22H22O10
Ingredient ID: TCMC3637
| Common Name | Physcion-8-O-Β-D-Glucopyranoside |
| IUPAC Name | 1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2C(=O)c2c(C3=O)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C22H22O10/c1-8-3-10-15(12(24)4-8)19(27)16-11(17(10)25)5-9(30-2)6-13(16)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3/t14-,18-,20+,21-,22-/m1/s1 |
| Standard InCHIKey | POMKXWCJRHNLRP-DQMLXFRHSA-N |
| External Identifiers | ChEMBL [CHEMBL518860]; PubChem [168938]; |
| Reference of Component-Ingredient Pair | 20014465 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3607
Formula: C42H40O19
Ingredient ID: TCMC3607
| Common Name | Sennosidec |
| IUPAC Name | 4-hydroxy-9-[4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid |
| Canonical SMILES | OCc1cc(O)c2c(c1)C(C1c3cccc(c3C(=O)c3c1cc(cc3O)C(=O)[O-])O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(ccc1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/p-1/t24-,25-,26?,27?,32-,33-,36+,37+,38-,39-,41-,42-/m1/s1 |
| Standard InCHIKey | ZFWOUNNKSHIAFK-JZOSXXJUSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [161940]; |
| Reference of Component-Ingredient Pair | 9120764 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3539
Formula: C16H24O9
Ingredient ID: TCMC3539
| Common Name | Rheinosidea |
| IUPAC Name | (1S,4aR,7R,7aR)-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde |
| Canonical SMILES | [O-]C=C1C=[O][C@H]([C@H]2[C@]1(O)CC[C@H]2C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C16H25O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,17-22H,2-3,5H2,1H3/p-1/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1 |
| Standard InCHIKey | AAQPSYWOHHCWJD-FHZCTKOVSA-M |
| External Identifiers | ChEMBL [CHEMBL3622814]; PubChem [155882]; |
| Reference of Component-Ingredient Pair | 24547772 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3515
Formula: C30H26O12
Ingredient ID: TCMC3515
| Common Name | Procyanidin B4 |
| IUPAC Name | (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1 |
| Standard InCHIKey | XFZJEEAOWLFHDH-VUGKQVTMSA-N |
| External Identifiers | ChEMBL [CHEMBL447373]; PubChem [147299]; |
| Reference of Component-Ingredient Pair | 17851427 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3514
Formula: C21H20O10
Ingredient ID: TCMC3514
| Common Name | Aloeemodin-Ω-O-Β-D-Glucopyranoside |
| IUPAC Name | 1,8-dihydroxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]anthracene-9,10-dione |
| Canonical SMILES | OC[C@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2c(C3=O)c(O)ccc2)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O10/c22-6-13-17(26)19(28)20(29)21(31-13)30-7-8-4-10-15(12(24)5-8)18(27)14-9(16(10)25)2-1-3-11(14)23/h1-5,13,17,19-24,26,28-29H,6-7H2/t13-,17-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | ASQHVCDULHERIH-JNHRPPPUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [147295]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3479
Formula: C13H16O10
Ingredient ID: TCMC3479
| Common Name | 6-O-Galloylglucose |
| IUPAC Name | [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O=C[C@@H]([C@H]([C@@H]([C@@H](COC(=O)c1cc(O)c(c(c1)O)O)O)O)O)O |
| Standard InCHI | InChI=1S/C13H16O10/c14-3-8(17)11(20)12(21)9(18)4-23-13(22)5-1-6(15)10(19)7(16)2-5/h1-3,8-9,11-12,15-21H,4H2/t8-,9+,11+,12+/m0/s1 |
| Standard InCHIKey | SMZJCCHIPATQCN-LUTQBAROSA-N |
| External Identifiers | ChEMBL [CHEMBL1221848]; PubChem [128839]; |
| Reference of Component-Ingredient Pair | 24194082 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3446
Formula: C44H34O20
Ingredient ID: TCMC3446
| Common Name | Procyanidin B2 3,3'-Di-O-Gallate |
| IUPAC Name | [(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-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]([C@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2/t33-,36-,39-,40-,42-/m1/s1 |
| Standard InCHIKey | KTLUHRSHFRODPS-RIQPQZJCSA-N |
| External Identifiers | ChEMBL [CHEMBL39504]; PubChem [124016]; |
| Reference of Component-Ingredient Pair | 28876465 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3441
Formula: C30H18O10
Ingredient ID: TCMC3441
| Common Name | Sennidinb |
| IUPAC Name | 9-(2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid |
| Canonical SMILES | Oc1cccc2c1C(=O)c1c(C2C2c3cccc(c3C(=O)c3c2cc(cc3O)C(=O)[O-])O)cc(cc1O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/p-2 |
| Standard InCHIKey | JPMRHWLJLNKRTJ-UHFFFAOYSA-L |
| External Identifiers | ChEMBL [CHEMBL227796]; PubChem [122839]; |
| Reference of Component-Ingredient Pair | 26302863 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3377
Formula: C19H22O9
Ingredient ID: TCMC3377
| Common Name | 6-Hydroxymusizin-8-O-Β-D-Glucoside |
| IUPAC Name | 1-[1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(O)c(c(c3)C)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C19H22O9/c1-7-3-9-4-10(22)5-11(14(9)16(24)13(7)8(2)21)27-19-18(26)17(25)15(23)12(6-20)28-19/h3-5,12,15,17-20,22-26H,6H2,1-2H3/t12-,15-,17+,18-,19-/m1/s1 |
| Standard InCHIKey | VJDBDVUFFPRHSF-JZXZQAMYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [100753]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3367
Formula: C21H20O10
Ingredient ID: TCMC3367
| Common Name | Emodin-1-O-Β-D-Glucopyranoside |
| IUPAC Name | 1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)cc3c2C(=O)c2c(C3=O)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | HSWIRQIYASIOBE-JNHRPPPUSA-N |
| External Identifiers | ChEMBL [CHEMBL464360]; PubChem [99649]; |
| Reference of Component-Ingredient Pair | 20112182 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3331
Formula: C30H18O10
Ingredient ID: TCMC3331
| Common Name | Sennidin A |
| IUPAC Name | (9R)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid |
| Canonical SMILES | Oc1cccc2c1C(=O)c1c([C@@H]2[C@@H]2c3cccc(c3C(=O)c3c2cc(cc3O)C(=O)[O-])O)cc(cc1O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/p-2/t21-,22-/m1/s1 |
| Standard InCHIKey | JPMRHWLJLNKRTJ-FGZHOGPDSA-L |
| External Identifiers | ChEMBL [N/A]; PubChem [92826]; |
| Reference of Component-Ingredient Pair | 26302863 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3240
Formula: C42H38O20
Ingredient ID: TCMC3240
| Common Name | Sennoside A |
| IUPAC Name | (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c([C@@H]3[C@H]3c4cc(cc(c4C(=O)c4c3cccc4O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O)C(=O)[O-])cc(cc2O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/p-2/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1 |
| Standard InCHIKey | IPQVTOJGNYVQEO-KGFNBKMBSA-L |
| External Identifiers | ChEMBL [CHEMBL2368547]; PubChem [73111]; |
| Reference of Component-Ingredient Pair | 10952069 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3220
Formula: C10H13NO3
Ingredient ID: TCMC3220
| Common Name | Rhatannin |
| IUPAC Name | (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid |
| Canonical SMILES | [O-]C(=O)[C@H](Cc1ccc(cc1)O)[NH2+]C |
| Standard InCHI | InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1 |
| Standard InCHIKey | AXDLCFOOGCNDST-VIFPVBQESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [68309]; |
| Reference of Component-Ingredient Pair | 27065235 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3216
Formula: C15H12O3
Ingredient ID: TCMC3216
| Common Name | Chrysarobin,Chrysophanol-9-Anthrone |
| IUPAC Name | 1,8-dihydroxy-3-methyl-10H-anthracen-9-one |
| Canonical SMILES | Cc1cc2Cc3cccc(c3C(=O)c2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H12O3/c1-8-5-10-7-9-3-2-4-11(16)13(9)15(18)14(10)12(17)6-8/h2-6,16-17H,7H2,1H3 |
| Standard InCHIKey | ZZBWSNKBZKPGAK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL122196]; PubChem [68111]; |
| Reference of Component-Ingredient Pair | 18823377 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3188
Formula: C23H26O11
Ingredient ID: TCMC3188
| Common Name | Lindleyin |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | CC(=O)CCc1ccc(cc1)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C23H26O11/c1-11(24)2-3-12-4-6-14(7-5-12)33-23-21(30)20(29)19(28)17(34-23)10-32-22(31)13-8-15(25)18(27)16(26)9-13/h4-9,17,19-21,23,25-30H,2-3,10H2,1H3/t17-,19-,20+,21-,23-/m1/s1 |
| Standard InCHIKey | BJYRNIFAMMOVGW-OXUVVOBNSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [42994]; |
| Reference of Component-Ingredient Pair | 12429027 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3
Formula: C15H14O6
Ingredient ID: TCMC3
| Common Name | (-)-Catechin |
| IUPAC Name | (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1 |
| Standard InCHIKey | PFTAWBLQPZVEMU-HIFRSBDPSA-N |
| External Identifiers | ChEMBL [CHEMBL200715]; PubChem [73160]; |
| Reference of Component-Ingredient Pair | 22953911 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| 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 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 90 entries
Ingredient ID: TCMC2806
Formula: C13H12O4
Ingredient ID: TCMC2806
| Common Name | 5-Acetonyl-7-Hydroxy-2-Methylchromone |
| IUPAC Name | 7-hydroxy-2-methyl-5-(2-oxopropyl)chromen-4-one |
| Canonical SMILES | CC(=O)Cc1cc(O)cc2c1c(=O)cc(o2)C |
| Standard InCHI | InChI=1S/C13H12O4/c1-7(14)3-9-5-10(15)6-12-13(9)11(16)4-8(2)17-12/h4-6,15H,3H2,1-2H3 |
| Standard InCHIKey | YMCXDPKFRCHLPK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL457049]; PubChem [5319500]; |
| Reference of Component-Ingredient Pair | 18524594 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH498 | Benincasa hispida | Dong Gua Pi | 冬瓜皮 |
| TCMH500 | Benincasa hispida | Dong Gua Zi | 冬瓜子 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC2699
Formula: C25H24O11
Ingredient ID: TCMC2699
| Common Name | Catechin Pentaacetate |
| IUPAC Name | [(2R,3S)-5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate |
| Canonical SMILES | CC(=O)Oc1cc2O[C@H](c3ccc(c(c3)OC(=O)C)OC(=O)C)[C@H](Cc2c(c1)OC(=O)C)OC(=O)C |
| Standard InCHI | InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3/t24-,25+/m0/s1 |
| Standard InCHIKey | BKYWAYNSDFXIPL-LOSJGSFVSA-N |
| External Identifiers | ChEMBL [CHEMBL3039154]; PubChem [5315742]; |
| Reference of Component-Ingredient Pair | US2009143279 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2641
Formula: C21H20O9
Ingredient ID: TCMC2641
| Common Name | Pulmatin |
| IUPAC Name | 1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O9/c1-8-5-10-14(11(23)6-8)18(26)15-9(16(10)24)3-2-4-12(15)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | WMMOMSNMMDMSRB-JNHRPPPUSA-N |
| External Identifiers | ChEMBL [CHEMBL443804]; PubChem [442731]; |
| Reference of Component-Ingredient Pair | 25768096 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2048 | Rumex acetosa | Suan Mo | 酸模 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH498 | Benincasa hispida | Dong Gua Pi | 冬瓜皮 |
| TCMH500 | Benincasa hispida | Dong Gua Zi | 冬瓜子 |
| TCMH921 | Polygonum cuspidatum | Hu Zhang | 虎杖 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC255
Formula: C15H12O4
Ingredient ID: TCMC255
| Common Name | 1,8-Dihydroxy-3-Methyl-4A,9A-Dihydroanthracene-9,10-Dione |
| IUPAC Name | 1,8-dihydroxy-3-methyl-4a,9a-dihydroanthracene-9,10-dione |
| Canonical SMILES | CC1=CC2C(C(=C1)O)C(=O)c1c(C2=O)cccc1O |
| Standard InCHI | InChI=1S/C15H12O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,9,13,16-17H,1H3 |
| Standard InCHIKey | RJOOIZGQOJJWMS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL443640]; PubChem [24867638]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1657 | Radix moghaniae philippinensis | Qian Jin Ba | 千斤拔 |
| TCMH1904 | Radix et rhizoma rhei | Sheng Jin Wen | 生锦纹 |
| TCMH1905 | Radix et rhizoma rhei | Sheng Jun | 生军 |
| TCMH1963 | Caulis polygoni multiflori | Shou Wu Teng | 首乌藤 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
Showing 1 to 10 of 27 entries
Ingredient ID: TCMC2486
Formula: C20H24O9
Ingredient ID: TCMC2486
| Common Name | Torachrysone 8-O-Glucoside |
| IUPAC Name | 1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(O)c(c(c3)C)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C20H24O9/c1-8-4-10-5-11(27-3)6-12(15(10)17(24)14(8)9(2)22)28-20-19(26)18(25)16(23)13(7-21)29-20/h4-6,13,16,18-21,23-26H,7H2,1-3H3/t13-,16-,18+,19-,20-/m1/s1 |
| Standard InCHIKey | GHKWPHRULCFTBB-CZNQJBLBSA-N |
| External Identifiers | ChEMBL [CHEMBL109330]; PubChem [11972479]; |
| Reference of Component-Ingredient Pair | 19938497 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| 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 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH498 | Benincasa hispida | Dong Gua Pi | 冬瓜皮 |
| TCMH500 | Benincasa hispida | Dong Gua Zi | 冬瓜子 |
Showing 1 to 10 of 20 entries
Ingredient ID: TCMC24
Formula: C15H14O6
Ingredient ID: TCMC24
| Common Name | (+)-Epicatechin |
| IUPAC Name | (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1 |
| Standard InCHIKey | PFTAWBLQPZVEMU-ZFWWWQNUSA-N |
| External Identifiers | ChEMBL [CHEMBL129482]; PubChem [182232]; |
| Reference of Component-Ingredient Pair | 20213173 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| 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 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 79 entries
Ingredient ID: TCMC2355
Formula: C14H14O4
Ingredient ID: TCMC2355
| Common Name | Torachrysone |
| IUPAC Name | 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone |
| Canonical SMILES | COc1cc(O)c2c(c1)cc(c(c2O)C(=O)C)C |
| Standard InCHI | InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3 |
| Standard InCHIKey | BIJOPUWEMBBDEG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2204398]; PubChem [5321977]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH284 | Melia toosendan | Chuan Lian Zi | 川楝子 |
| TCMH310 | Melia azedarach | Chuan Lian | 川楝 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC2304
Formula: C27H24O18
Ingredient ID: TCMC2304
| Common Name | 1,2,6-Tri-O-Galloyl-Beta-D-Glucose |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)O)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/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1 |
| Standard InCHIKey | LLENXGNWVNSBQG-VFTFQOQOSA-N |
| External Identifiers | ChEMBL [CHEMBL447974]; PubChem [440308]; |
| Reference of Component-Ingredient Pair | 22506400 |
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 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| 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 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC2063
Formula: C10H12N2O
Ingredient ID: TCMC2063
| Common Name | Serotonin |
| IUPAC Name | 3-(2-aminoethyl)-1H-indol-5-ol |
| Canonical SMILES | NCCc1c[nH]c2c1cc(O)cc2 |
| Standard InCHI | InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 |
| Standard InCHIKey | QZAYGJVTTNCVMB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL39]; PubChem [5202]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH232 | Bufo melanostictus | Chan Chu | 蟾蜍 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH641 | Bufo melanostictus | Gan Chan | 干蟾 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2061
Formula: C42H38O20
Ingredient ID: TCMC2061
| Common Name | Sennoside B |
| IUPAC Name | (9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c([C@@H]3[C@@H]3c4cc(cc(c4C(=O)c4c3cccc4O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O)C(=O)O)cc(cc2O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1 |
| Standard InCHIKey | IPQVTOJGNYVQEO-AIFLABODSA-N |
| External Identifiers | ChEMBL [CHEMBL445268]; PubChem [91440]; |
| Reference of Component-Ingredient Pair | 20091132 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2031
Formula: C27H30O16
Ingredient ID: TCMC2031
| Common Name | Rutin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 |
| Standard InCHIKey | IKGXIBQEEMLURG-NVPNHPEKSA-N |
| External Identifiers | ChEMBL [CHEMBL226335]; PubChem [5280805]; |
| Reference of Component-Ingredient Pair | 26408079 |
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 |
| 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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 215 entries
Ingredient ID: TCMC2014
Formula: C15H8O6
Ingredient ID: TCMC2014
| Common Name | Rhein |
| IUPAC Name | 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid |
| Canonical SMILES | Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O |
| Standard InCHI | InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21) |
| Standard InCHIKey | FCDLCPWAQCPTKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL418068]; PubChem [10168]; |
| Reference of Component-Ingredient Pair | 26185519 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH2244 | Prunella vulgaris | Xia Ku Cao | 夏枯草 |
| TCMH2335 | Hemerocallis fulva | Xuan Cao Gen | 萱草根 |
| TCMH2562 | Ruta graveolens | Yun Xiang Jin Gao | 芸香浸膏 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC2004
Formula: C15H14O3
Ingredient ID: TCMC2004
| Common Name | Resveratrol 4'-Methyl Ether |
| IUPAC Name | 5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol |
| Canonical SMILES | COc1ccc(cc1)/C=C/c1cc(O)cc(c1)O |
| Standard InCHI | InChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+ |
| Standard InCHIKey | IHVRWFJGOIWMGC-NSCUHMNNSA-N |
| External Identifiers | ChEMBL [CHEMBL291501]; PubChem [6255462]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2003
Formula: C14H12O3
Ingredient ID: TCMC2003
| Common Name | Resveratrol |
| IUPAC Name | 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
| Canonical SMILES | Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O |
| Standard InCHI | InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ |
| Standard InCHIKey | LUKBXSAWLPMMSZ-OWOJBTEDSA-N |
| External Identifiers | ChEMBL [CHEMBL165]; PubChem [445154]; |
| Reference of Component-Ingredient Pair | 26766292 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1870 | Belamcanda chinensis | She Gan | 射干 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC1990
Formula: C14H8O6
Ingredient ID: TCMC1990
| Common Name | Quinalizarin |
| IUPAC Name | 1,2,5,8-tetrahydroxyanthracene-9,10-dione |
| Canonical SMILES | Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O |
| Standard InCHI | InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H |
| Standard InCHIKey | VBHKTXLEJZIDJF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL29898]; PubChem [5004]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1967
Formula: C14H8O5
Ingredient ID: TCMC1967
| Common Name | Purpurin |
| IUPAC Name | 1,2,4-trihydroxyanthracene-9,10-dione |
| Canonical SMILES | Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O |
| Standard InCHI | InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H |
| Standard InCHIKey | BBNQQADTFFCFGB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL294264]; PubChem [6683]; |
| Reference of Component-Ingredient Pair | 18617432 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1892
Formula: C14H12O4
Ingredient ID: TCMC1892
| Common Name | Piceatannol |
| IUPAC Name | 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol |
| Canonical SMILES | Oc1cc(/C=C/c2ccc(c(c2)O)O)cc(c1)O |
| Standard InCHI | InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+ |
| Standard InCHIKey | CDRPUGZCRXZLFL-OWOJBTEDSA-N |
| External Identifiers | ChEMBL [CHEMBL69863]; PubChem [667639]; |
| Reference of Component-Ingredient Pair | 26341291 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2134 | Smilax glabra | Tu Fu Ling | 土茯苓 |
| TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC1890
Formula: C28H32O15
Ingredient ID: TCMC1890
| Common Name | Physcion-8-O-Gentiobioside |
| IUPAC Name | 1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(OC)cc4c3C(=O)c3c(C4=O)cc(cc3O)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C28H32O15/c1-9-3-11-17(13(30)4-9)22(34)18-12(19(11)31)5-10(39-2)6-14(18)41-28-26(38)24(36)21(33)16(43-28)8-40-27-25(37)23(35)20(32)15(7-29)42-27/h3-6,15-16,20-21,23-30,32-33,35-38H,7-8H2,1-2H3/t15-,16-,20-,21-,23+,24+,25-,26-,27-,28-/m1/s1 |
| Standard InCHIKey | YMXXCMGLMRYEQD-BFTLVBKUSA-N |
| External Identifiers | ChEMBL [CHEMBL3634702]; PubChem [442762]; |
| Reference of Component-Ingredient Pair | 6860433 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1889
Formula: C16H12O5
Ingredient ID: TCMC1889
| Common Name | Physcion |
| IUPAC Name | 1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione |
| Canonical SMILES | COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C |
| Standard InCHI | InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3 |
| Standard InCHIKey | FFWOKTFYGVYKIR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL42624]; PubChem [10639]; |
| Reference of Component-Ingredient Pair | 29667811 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1657 | Radix moghaniae philippinensis | Qian Jin Ba | 千斤拔 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2048 | Rumex acetosa | Suan Mo | 酸模 |
Showing 1 to 10 of 36 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: TCMC179
Formula: C30H28O8
Ingredient ID: TCMC179
| Common Name | (Z)-1-[6-[(3-Acetyl-2,4,6-Trihydroxy-5-Methylphenyl)Methyl]-5,7-Dihydroxy-2,2-Dimethylchromen-8-Yl]-3-Phenylprop-2-En-1-One |
| IUPAC Name | (Z)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one |
| Canonical SMILES | O=C(c1c(O)c(Cc2c(O)c(C)c(c(c2O)C(=O)C)O)c(c2c1OC(C)(C)C=C2)O)/C=Cc1ccccc1 |
| Standard InCHI | InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10- |
| Standard InCHIKey | DEZFNHCVIZBHBI-KHPPLWFESA-N |
| External Identifiers | ChEMBL [CHEMBL1330502]; PubChem [6603986]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH2445 | Cassia angustifolia | Yang Xie | 洋泻 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH560 | Cassia angustifolia | Fan Xie Ye | 番泻叶 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1735
Formula: C27H32O14
Ingredient ID: TCMC1735
| Common Name | Naringin |
| IUPAC Name | (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 |
| Standard InCHIKey | DFPMSGMNTNDNHN-ZPHOTFPESA-N |
| External Identifiers | ChEMBL [CHEMBL451532]; PubChem [442428]; |
| Reference of Component-Ingredient Pair | 22260547 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1097 | Fortunella japonica | Jin Gan | 金柑 |
| TCMH1104 | Fortunella margarita | Jin Ju | 金橘 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1180 | Exocarpium citri rubrum | Ju Hong Pi | 橘红皮 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1255 | Tripterygium wilfordii | Lei Gong Teng | 雷公藤 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 48 entries
Ingredient ID: TCMC1523
Formula: C18H18O2
Ingredient ID: TCMC1523
| Common Name | Magnolol |
| IUPAC Name | 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1cc(CC=C)ccc1O)O |
| Standard InCHI | InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2 |
| Standard InCHIKey | VVOAZFWZEDHOOU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL180920]; PubChem [72300]; |
| Reference of Component-Ingredient Pair | 21355261 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2316 | Magnolia liliflora | Xin Yi | 辛夷 |
| TCMH2317 | Magnolia liliflora | Xin Yi Hua | 辛夷花 |
| TCMH2319 | Magnolia liliflora | Xin Yi Hua Jin Gao Fen | 辛夷花浸膏粉 |
| TCMH2320 | Magnolia liliflora | Xin Yi Ren | 辛夷仁 |
| TCMH291 | Cortex magnoliae officinalis | Chuan Pu | 川朴 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH447 | Illicium difengpi | Di Feng Pi | 地枫皮 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC143
Formula: C42H38O20
Ingredient ID: TCMC143
| Common Name | (9R)-9-[(9R)-2-Carboxy-4-Hydroxy-10-Oxo-5-[(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-9H-Anthracen-9-Yl]-4-Hydroxy-10-Oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-9H-Anthracene-2-Carboxylic Acid |
| IUPAC Name | (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1OC(Oc2cccc3c2C(=O)c2c([C@@H]3[C@H]3c4cc(cc(c4C(=O)c4c3cccc4O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O)C(=O)O)cc(cc2O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42?/m1/s1 |
| Standard InCHIKey | IPQVTOJGNYVQEO-GTCVFCFLSA-N |
| External Identifiers | ChEMBL [CHEMBL1362935]; PubChem [16218404]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1904 | Radix et rhizoma rhei | Sheng Jin Wen | 生锦纹 |
| TCMH1905 | Radix et rhizoma rhei | Sheng Jun | 生军 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH210 | Terminalia chebula | Cang Qing Guo | 藏青果 |
| TCMH2445 | Cassia angustifolia | Yang Xie | 洋泻 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH560 | Cassia angustifolia | Fan Xie Ye | 番泻叶 |
| TCMH826 | Terminalia chebula | He Zi | 诃子 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC1334
Formula: C18H18O2
Ingredient ID: TCMC1334
| Common Name | Honokiol |
| IUPAC Name | 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O |
| Standard InCHI | InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2 |
| Standard InCHIKey | FVYXIJYOAGAUQK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL16901]; PubChem [72303]; |
| Reference of Component-Ingredient Pair | 22766801 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH291 | Cortex magnoliae officinalis | Chuan Pu | 川朴 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH498 | Benincasa hispida | Dong Gua Pi | 冬瓜皮 |
| TCMH500 | Benincasa hispida | Dong Gua Zi | 冬瓜子 |
| TCMH890 | Cortex magnoliae officinalis | Hou Pu | 厚朴 |
| TCMH891 | Flos magnoliae offcinalis | Hou Pu Hua | 厚朴花 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1321
Formula: C28H34O15
Ingredient ID: TCMC1321
| Common Name | Hesperidin |
| IUPAC Name | (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
| Standard InCHIKey | QUQPHWDTPGMPEX-QJBIFVCTSA-N |
| External Identifiers | ChEMBL [CHEMBL449317]; PubChem [10621]; |
| Reference of Component-Ingredient Pair | 25130191 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
Showing 1 to 10 of 42 entries
Ingredient ID: TCMC13
Formula: C15H14O6
Ingredient ID: TCMC13
| Common Name | (-)-Epicatechin |
| IUPAC Name | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 |
| Standard InCHIKey | PFTAWBLQPZVEMU-UKRRQHHQSA-N |
| External Identifiers | ChEMBL [CHEMBL583912]; PubChem [72276]; |
| Reference of Component-Ingredient Pair | 23122145 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| 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 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
Showing 1 to 10 of 104 entries
Ingredient ID: TCMC1281
Formula: C42H62O16
Ingredient ID: TCMC1281
| Common Name | Glycyrrhizin |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Canonical SMILES | O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C |
| Standard InCHI | InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 |
| Standard InCHIKey | LPLVUJXQOOQHMX-QWBHMCJMSA-N |
| External Identifiers | ChEMBL [CHEMBL441687]; PubChem [14982]; |
| Reference of Component-Ingredient Pair | 28478275 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH628 | Glycyrrhiza uralensis | Gan Cao | 甘草 |
| TCMH629 | Glycyrrhiza uralensis | Gan Cao Fen | 甘草粉 |
| TCMH630 | Glycyrrhiza uralensis | Gan Cao Gan Gao | 甘草干膏 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC1264
Formula: C5H10N2O3
Ingredient ID: TCMC1264
| Common Name | Glutamine |
| IUPAC Name | (2S)-2,5-diamino-5-oxopentanoic acid |
| Canonical SMILES | OC(=N)CC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 |
| Standard InCHIKey | ZDXPYRJPNDTMRX-VKHMYHEASA-N |
| External Identifiers | ChEMBL [CHEMBL930]; PubChem [5961]; |
| Reference of Component-Ingredient Pair | 21982462 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
| TCMH230 | Bupleurum chinense | Chai Hu Shao | 柴胡梢 |
| TCMH2407 | Bupleurum chinense | Yan Tai Chai Hu | 烟台柴胡 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
Showing 1 to 10 of 13 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: TCMC1173
Formula: C10H10O4
Ingredient ID: TCMC1173
| Common Name | Ferulic Acid |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| Canonical SMILES | COc1cc(/C=C/C(=O)O)ccc1O |
| Standard InCHI | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
| Standard InCHIKey | KSEBMYQBYZTDHS-HWKANZROSA-N |
| External Identifiers | ChEMBL [CHEMBL32749]; PubChem [445858]; |
| Reference of Component-Ingredient Pair | 25130191 |
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 |
| TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Showing 1 to 10 of 158 entries
Ingredient ID: TCMC1113
Formula: C22H18O10
Ingredient ID: TCMC1113
| Common Name | Epicatechin Gallate |
| IUPAC Name | [(2R,3R)-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-/m1/s1 |
| Standard InCHIKey | LSHVYAFMTMFKBA-TZIWHRDSSA-N |
| External Identifiers | ChEMBL [CHEMBL36327]; PubChem [107905]; |
| Reference of Component-Ingredient Pair | 23132683 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| 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 |
| TCMH1742 | Cinnamomum cassia | Rou Gui | 肉桂 |
| TCMH1746 | Cinnamomum cassia | Rou Gui Zi | 肉桂子 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC1106
Formula: C15H12O4
Ingredient ID: TCMC1106
| Common Name | Emodin Anthrone |
| IUPAC Name | 1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one |
| Canonical SMILES | Cc1cc2Cc3cc(O)cc(c3C(=O)c2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3 |
| Standard InCHIKey | LAJSXCAVRQXZIO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL122192]; PubChem [122635]; |
| Reference of Component-Ingredient Pair | 1810248 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
| TCMH819 | Polygonum multiflorum | He Shou Wu | 何首乌 |
| TCMH921 | Polygonum cuspidatum | Hu Zhang | 虎杖 |
| TCMH961 | Artemisia scoparia | Huang Hao | 黄蒿 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1105
Formula: C15H10O5
Ingredient ID: TCMC1105
| Common Name | Emodin |
| IUPAC Name | 1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
| Canonical SMILES | Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O |
| Standard InCHI | InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 |
| Standard InCHIKey | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL289277]; PubChem [3220]; |
| Reference of Component-Ingredient Pair | 29045746 |
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 |
| TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
| TCMH1214 | Picrasma quassioides | Ku Mu | 苦木 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH1922 | Acorus tatarinowii | Shi Chang Pu Jin Gao | 石菖蒲浸膏 |
| TCMH1923 | Acorus tatarinowii | Shi Chang Pu Qing Gao | 石菖蒲清膏 |
Showing 1 to 10 of 39 entries
Ingredient ID: TCMC1080
Formula: C20H38O7S
Ingredient ID: TCMC1080
| Common Name | Docusate |
| IUPAC Name | 1,4-bis(2-ethylhexoxy)-1-oxo-4-oxoniumylidenebutane-2-sulfonate |
| Canonical SMILES | CCCCC(COC(=O)CC(S(=O)(=O)O)C(=O)OCC(CCCC)CC)CC |
| Standard InCHI | InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25) |
| Standard InCHIKey | HNSDLXPSAYFUHK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1477036]; PubChem [60110176]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH309 | Curcuma longa | Chuan Yu Jin | 川郁金 |
| TCMH363 | Rheum officinale | Da Huang | 大黄 |
| TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
| TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
Showing 1 to 7 of 7 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1080 | C20H38O7S | Docusate | 422.23 | -2.4466 | 2.78 | 5.04 | 7 | 1 | 115.35 | 23 | 0 | 28 | 2 |
| TCMC1105 | C15H10O5 | Emodin | 270.05 | -1.2665 | 2.56 | 0.664 | 2 | 3 | 94.83 | 4 | 3 | 20 | 0 |
| TCMC1106 | C15H12O4 | Emodin Anthrone | 256.07 | -0.5465 | 2.67 | 1.793 | 1 | 3 | 77.76 | 4 | 3 | 19 | 0 |
| TCMC1113 | C22H18O10 | Epicatechin Gallate | 442.09 | -3.5057 | 2.78 | 1.228 | 2 | 7 | 177.14 | 11 | 4 | 32 | 1 |
| TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
| TCMC1202 | C7H6O5 | Gallic Acid | 170.02 | -1.6207 | 1.68 | 0.002 | 2 | 4 | 97.99 | 5 | 1 | 12 | 0 |
| TCMC1203 | C8H8O5 | Gallic Acid Methyl Ester | 184.04 | -1.3697 | 1.79 | 0.323 | 2 | 3 | 86.99 | 6 | 1 | 13 | 0 |
| TCMC1264 | C5H10N2O3 | Glutamine | 146.07 | -1.4816 | 1.46 | -2.943 | 5 | 4 | 107.4 | 7 | 0 | 10 | 0 |
| TCMC1281 | C42H62O16 | Glycyrrhizin | 822.4 | -1.6063 | 4.32 | 4.414 | 16 | 8 | 267.04 | 22 | 7 | 58 | 2 |
| TCMC13 | C15H14O6 | (-)-Epicatechin | 290.08 | -2.494 | 2.45 | 0.406 | 1 | 5 | 110.38 | 6 | 3 | 21 | 0 |
Showing 1 to 10 of 112 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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