Description of the Component
Component ID |
TCMH385 |
Latin Name |
Sargentodoxa cuneata |
English Name |
Sargentgloryvine |
Chinese Pinyin Name |
Da Xue Teng |
中文名 |
大血藤 |
TCM Properties |
Mild,Bitter,Punkery |
TCM Meridians |
Large Intestine,Liver |
Therapeutic Class English |
Heat clearence |
Therapeutic Class Chinese |
清热 |
Functions |
remove toxic heat, promote blood circulation, and relieve rheumatic conditions |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAG360-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF2219 | Appendictis Tablet | 阑尾消炎片 |
| TCMF3462 | Feng Shi Ning Yao Wine | 风湿宁药酒 |
| TCMF3522 | Gu Tong Yao Wine | 骨痛药酒 |
| TCMF3764 | Fu Bao Granules | 妇宝颗粒 |
| TCMF3807 | Du Zhong Zhuang Gu Capsules | 杜仲壮骨胶囊 |
| TCMF3815 | Du Zhong Zhuang Gu Pills | 杜仲壮骨丸 |
| TCMF3977 | Fu Le Infusion | 妇乐冲剂 |
| TCMF3985 | Fu Le Granules | 妇乐颗粒 |
| TCMF4738 | Lan Wei Xiao Yan Tablets | 阑尾消炎片 |
| TCMF5164 | San She Yao Wine | 三蛇药酒 |
Showing 1 to 10 of 23 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 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
| TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
| TCMT135 | CA14 | Carbonic anhydrase XIV | Lyase | Q9ULX7 |
| TCMT136 | CA12 | Carbonic anhydrase XII | Lyase | O43570 |
| TCMT137 | CA9 | Carbonic anhydrase IX | Lyase | Q16790 |
| TCMT138 | CA7 | Carbonic anhydrase VII | Lyase | P43166 |
| TCMT139 | CA6 | Carbonic anhydrase VI | Lyase | P23280 |
Showing 1 to 10 of 49 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1088 | Carbonic anhydrase |
| TCMT1104 | Sortase |
| TCMT1175 | Human immunodeficiency virus |
| TCMT1189 | Pseudomonas fluorescens |
| TCMT1212 | Verticillium dahliae |
| TCMT1218 | Staphylococcus aureus |
| TCMT1222 | Plasmodium falciparum D6 |
| TCMT1232 | Pseudomonas aeruginosa |
| TCMT1246 | Escherichia coli |
| TCMT1251 | Candida albicans |
Showing 1 to 10 of 15 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: 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: TCMC898
Formula: C17H20O9
Ingredient ID: TCMC898
| Common Name | Chlorogenic Acid Methyl Ester |
| IUPAC Name | methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate |
| Canonical SMILES | COC(=O)[C@]1(O)C[C@@H](O)[C@H]([C@@H](C1)OC(=O)/C=C/c1ccc(c(c1)O)O)O |
| Standard InCHI | InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 |
| Standard InCHIKey | MZNIJRAPCCELQX-AWOKGZDASA-N |
| External Identifiers | ChEMBL [CHEMBL416955]; PubChem [6476139]; |
| Reference of Component-Ingredient Pair | 25566654 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1615 | Eriobotrya japonica | Pi Ba Ren | 枇杷仁 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1794 | Morus alba | Sang Shen | 桑葚 |
| TCMH1795 | Morus alba | Sang Shen Jin Gao | 桑葚浸膏 |
| TCMH1796 | Morus alba | Sang Shen Qing Gao | 桑葚清膏 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC897
Formula: C16H18O9
Ingredient ID: TCMC897
| Common Name | Chlorogenic Acid |
| IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| Standard InCHIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
| External Identifiers | ChEMBL [CHEMBL284616]; PubChem [1794427]; |
| Reference of Component-Ingredient Pair | 29136249 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 197 entries
Ingredient ID: 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: TCMC852
Formula: C23H26O11
Ingredient ID: TCMC852
| Common Name | Calceolarioside B |
| IUPAC Name | [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | O=C(OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1 |
| Standard InCHIKey | LFKQVVDFNHDYNK-FOXCETOMSA-N |
| External Identifiers | ChEMBL [CHEMBL518414]; PubChem [5273567]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC801
Formula: C29H50O
Ingredient ID: TCMC801
| Common Name | Beta-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-VJSFXXLFSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [222284]; |
| Reference of Component-Ingredient Pair | 24130033 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
Showing 1 to 10 of 331 entries
Ingredient ID: TCMC714
Formula: C9H10O3
Ingredient ID: TCMC714
| Common Name | Apocynin |
| IUPAC Name | 1-(4-hydroxy-3-methoxyphenyl)ethanone |
| Canonical SMILES | COc1cc(ccc1O)C(=O)C |
| Standard InCHI | InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3 |
| Standard InCHIKey | DFYRUELUNQRZTB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL346919]; PubChem [2214]; |
| Reference of Component-Ingredient Pair | 28539244 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH110 | Cynanchum atratum | Bai Wei | 白薇 |
| TCMH1495 | Gossypium herbaceum | Mian Hua Gen | 棉花根 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1697 | Iris tectorum | Qing Wa Qi | 青蛙七 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH385 | Sargentodoxa cuneata | Da Xue Teng | 大血藤 |
| TCMH494 | Cordyceps sinensis | Dong Chong Xia Cao | 冬虫夏草 |
| TCMH905 | Picrorhiza kurrooa | Hu Huang Lian | 胡黄连 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC6326
Formula: C23H26O13
Ingredient ID: TCMC6326
| Common Name | 1-O-Vanillic Acid-6-O-(3'',5''-Dimethoxy-Galloyl)-Β-D-Glycoside |
| IUPAC Name | 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-3,5-dimethoxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid |
| Canonical SMILES | COc1cc(ccc1O[C@@H]1O[C@H](COC(=O)c2cc(OC)c(c(c2)OC)O)[C@H]([C@@H]([C@H]1O)O)O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C23H26O13/c1-31-13-6-10(21(28)29)4-5-12(13)35-23-20(27)19(26)18(25)16(36-23)9-34-22(30)11-7-14(32-2)17(24)15(8-11)33-3/h4-8,16,18-20,23-27H,9H2,1-3H3,(H,28,29)/p-1/t16-,18-,19+,20-,23-/m1/s1 |
| Standard InCHIKey | VZZORQCDLWXFQF-PUIBNRJISA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [16203399]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5765
Formula: C24H40O11
Ingredient ID: TCMC5765
| Common Name | Cuneataside E |
| IUPAC Name | 4-[(4R)-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-one |
| Canonical SMILES | OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](O[C@@H]2CC(=C(C(C2)(C)C)CCC(=O)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C24H40O11/c1-12-7-14(8-23(3,4)15(12)6-5-13(2)26)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h14,16-22,25,27-31H,5-11H2,1-4H3/t14-,16-,17-,18+,19-,20+,21-,22-,24-/m1/s1 |
| Standard InCHIKey | OVWDRYCZWVUZQT-PUQDOQKCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11706085]; |
| Reference of Component-Ingredient Pair | 16271734 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5761
Formula: C14H18O8
Ingredient ID: TCMC5761
| Common Name | Cuneataside B |
| IUPAC Name | (2R,4aR,6R,7S,8S,8aR)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol |
| Canonical SMILES | OC[C@H]1O[C@H]2OC[C@H](O[C@@H]2[C@H]([C@@H]1O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C14H18O8/c15-4-9-11(18)12(19)13-14(22-9)20-5-10(21-13)6-1-2-7(16)8(17)3-6/h1-3,9-19H,4-5H2/t9-,10+,11-,12+,13-,14-/m1/s1 |
| Standard InCHIKey | CTVFMNLFBWRHJH-QQOHENMQSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11688229]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5740
Formula: C14H18O8
Ingredient ID: TCMC5740
| Common Name | Cuneataside A |
| IUPAC Name | (2S,4aR,6R,7S,8S,8aR)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol |
| Canonical SMILES | OC[C@H]1O[C@H]2OC[C@@H](O[C@@H]2[C@H]([C@@H]1O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C14H18O8/c15-4-9-11(18)12(19)13-14(22-9)20-5-10(21-13)6-1-2-7(16)8(17)3-6/h1-3,9-19H,4-5H2/t9-,10-,11-,12+,13-,14-/m1/s1 |
| Standard InCHIKey | CTVFMNLFBWRHJH-YOVYLDAJSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11631036]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5727
Formula: C19H28O12
Ingredient ID: TCMC5727
| Common Name | Cuneataside D |
| IUPAC Name | (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol |
| Canonical SMILES | COc1cc(ccc1O)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/C19H28O12/c1-7-12(21)14(23)16(25)18(29-7)28-6-11-13(22)15(24)17(26)19(31-11)30-8-3-4-9(20)10(5-8)27-2/h3-5,7,11-26H,6H2,1-2H3/t7-,11+,12-,13+,14+,15-,16+,17+,18+,19+/m0/s1 |
| Standard InCHIKey | BFAJLSKYUOPYBU-ZXYOEULESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11539633]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5722
Formula: C19H28O12
Ingredient ID: TCMC5722
| Common Name | Cuneataside C |
| IUPAC Name | (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]oxane-3,4,5-triol |
| Canonical SMILES | OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C19H28O12/c20-7-19(27)8-30-18(16(19)26)29-6-12-13(23)14(24)15(25)17(31-12)28-4-3-9-1-2-10(21)11(22)5-9/h1-2,5,12-18,20-27H,3-4,6-8H2/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1 |
| Standard InCHIKey | LBHKVQMODMELAS-OTCFHACESA-N |
| External Identifiers | ChEMBL [CHEMBL376387]; PubChem [11503277]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5237
Formula: C20H28O12
Ingredient ID: TCMC5237
| Common Name | 2-Methoxy-4-Acetylphenyl-1-O-Β-D-Apiofuranosyl-(1''→6')-Β-Glucopyranoside |
| IUPAC Name | 1-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]ethanone |
| Canonical SMILES | COc1cc(ccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@]([C@H]2O)(O)CO)[C@H]([C@@H]([C@H]1O)O)O)C(=O)C |
| Standard InCHI | InChI=1S/C20H28O12/c1-9(22)10-3-4-11(12(5-10)28-2)31-18-16(25)15(24)14(23)13(32-18)6-29-19-17(26)20(27,7-21)8-30-19/h3-5,13-19,21,23-27H,6-8H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-,20-/m1/s1 |
| Standard InCHIKey | MKRWWSNBWNFVDX-LTRJMQNCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [9832853]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4854
Formula: C14H20O7
Ingredient ID: TCMC4854
| Common Name | Sargencuneside |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-methoxy-4-methylphenoxy)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(c(c2)OC)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C14H20O7/c1-7-3-4-8(5-9(7)19-2)20-14-13(18)12(17)11(16)10(6-15)21-14/h3-5,10-18H,6H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1 |
| Standard InCHIKey | OVFYFAUQNYAGFX-RKQHYHRCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5321130]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3966
Formula: C29H50O
Ingredient ID: TCMC3966
| Common Name | Sitosterol,Β-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-FBZNIEFRSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [457801]; |
| Reference of Component-Ingredient Pair | 23115546 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
Showing 1 to 10 of 71 entries
Ingredient ID: TCMC3711
Formula: C19H28O11
Ingredient ID: TCMC3711
| Common Name | Osmanthuside H |
| IUPAC Name | (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol |
| Canonical SMILES | OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OCCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C19H28O11/c20-8-19(26)9-29-18(16(19)25)28-7-12-13(22)14(23)15(24)17(30-12)27-6-5-10-1-3-11(21)4-2-10/h1-4,12-18,20-26H,5-9H2/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1 |
| Standard InCHIKey | IVRQZYXJBVMHCW-OTCFHACESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [192437]; |
| Reference of Component-Ingredient Pair | 19086636 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3563
Formula: C14H20O7
Ingredient ID: TCMC3563
| Common Name | Rhodioloside,Salidroside |
| IUPAC Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](OCCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1 |
| Standard InCHIKey | ILRCGYURZSFMEG-RKQHYHRCSA-N |
| External Identifiers | ChEMBL [CHEMBL465208]; PubChem [159278]; |
| Reference of Component-Ingredient Pair | 22618237 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3233
Formula: C35H60O6
Ingredient ID: TCMC3233
| Common Name | Alexandrin,Daucosterol,Eleutheroside A |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(8S,9S,10R,13R,14S)-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](C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(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-QYDWNGEASA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [71628]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH193 | Psoralea corylifolia | Bu Gu Zhi | 补骨脂 |
| TCMH206 | Fructus xanthii sibirici | Cang Er Zi | 苍耳子 |
| TCMH2684 | Ardisia crenata | Zhu Sha Gen | 朱砂根 |
| TCMH287 | Clematidis armandii caulis | Chuan Mu Tong | 川木通 |
| TCMH327 | Eleutherococcus senticosus | Ci Wu Jia | 刺五加 |
| TCMH37 | Smilax china | Ba Qia | 菝葜 |
| TCMH385 | Sargentodoxa cuneata | Da Xue Teng | 大血藤 |
| TCMH387 | Callicarpa macrophylla | Da Ye Zi Zhu | 大叶紫珠 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC2467
Formula: C29H48O2
Ingredient ID: TCMC2467
| Common Name | Saringosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxy-5-propan-2-ylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | C=CC(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)O |
| Standard InCHI | InChI=1S/C29H48O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29?/m1/s1 |
| Standard InCHIKey | OPGVEUGCNGNPSX-SVSQYMGHSA-N |
| External Identifiers | ChEMBL [CHEMBL252366]; PubChem [14161394]; |
| Reference of Component-Ingredient Pair | 21895454 |
Occurrence of the ingredient across TCM components
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: TCMC2222
Formula: C8H8O4
Ingredient ID: TCMC2222
| Common Name | Vanillic Acid |
| IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
| Canonical SMILES | COc1cc(ccc1O)C(=O)O |
| Standard InCHI | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
| Standard InCHIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL120568]; PubChem [8468]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC2201
Formula: C8H10O2
Ingredient ID: TCMC2201
| Common Name | Tyrosol |
| IUPAC Name | 4-(2-hydroxyethyl)phenol |
| Canonical SMILES | OCCc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2 |
| Standard InCHIKey | YCCILVSKPBXVIP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL53566]; PubChem [10393]; |
| Reference of Component-Ingredient Pair | 23017390 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1442 | Datura stramonium | Man Tuo Luo | 曼陀罗 |
| TCMH1443 | Datura stramonium | Man Tuo Luo Jin Gao | 曼陀罗浸膏 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
Showing 1 to 10 of 39 entries
Ingredient ID: TCMC1956
Formula: C7H6O4
Ingredient ID: TCMC1956
| Common Name | Protocatechuic Acid |
| IUPAC Name | 3,4-dihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
| Standard InCHIKey | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL37537]; PubChem [72]; |
| Reference of Component-Ingredient Pair | 24685503 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH10 | Blumea balsamifera | Ai Pian | 艾片 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH11 | Blumea balsamifera | Ai Tan | 艾炭 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 194 entries
Ingredient ID: TCMC1886
Formula: C18H18O5
Ingredient ID: TCMC1886
| Common Name | P-Hydroxyphenethyl Trans-Ferulate |
| IUPAC Name | 2-(4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Canonical SMILES | COc1cc(/C=C/C(=O)OCCc2ccc(cc2)O)ccc1O |
| Standard InCHI | InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+ |
| Standard InCHIKey | JMSFLLZUCIXALN-WEVVVXLNSA-N |
| External Identifiers | ChEMBL [CHEMBL481245]; PubChem [637308]; |
| 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 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1991 | Polygonum orientale | Shui Hong Hua | 水红花 |
| TCMH1992 | Polygonum orientale | Shui Hong Hua Ye | 水红花叶 |
| TCMH385 | Sargentodoxa cuneata | Da Xue Teng | 大血藤 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
| TCMH863 | Salvia prionitis | Hong Gen Cao | 红根草 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1352
Formula: C8H10O3
Ingredient ID: TCMC1352
| Common Name | Hydroxytyrosol |
| IUPAC Name | 4-(2-hydroxyethyl)benzene-1,2-diol |
| Canonical SMILES | OCCc1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2 |
| Standard InCHIKey | JUUBCHWRXWPFFH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1950045]; PubChem [82755]; |
| Reference of Component-Ingredient Pair | 23017390 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1766 | Sparganium stoloniferum | San Ling | 三棱 |
| 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 12 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
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC13 | C15H14O6 | (-)-Epicatechin | 290.08 | -2.494 | 2.45 | 0.406 | 1 | 5 | 110.38 | 6 | 3 | 21 | 0 |
| TCMC1352 | C8H10O3 | Hydroxytyrosol | 154.06 | -1.1137 | 2.01 | 0.637 | 1 | 3 | 60.69 | 5 | 1 | 11 | 0 |
| TCMC1886 | C18H18O5 | P-Hydroxyphenethyl Trans-Ferulate | 314.12 | -0.4352 | 2.89 | 3.222 | 2 | 2 | 75.99 | 10 | 2 | 23 | 0 |
| TCMC1956 | C7H6O4 | Protocatechuic Acid | 154.03 | -1.1604 | 1.79 | 0.536 | 2 | 3 | 77.76 | 4 | 1 | 11 | 0 |
| TCMC2201 | C8H10O2 | Tyrosol | 138.07 | -0.6534 | 2.12 | 1.171 | 1 | 2 | 40.46 | 4 | 1 | 10 | 0 |
| TCMC2222 | C8H8O4 | Vanillic Acid | 168.04 | -0.7519 | 1.9 | 0.626 | 2 | 2 | 66.76 | 5 | 1 | 12 | 0 |
| TCMC24 | C15H14O6 | (+)-Epicatechin | 290.08 | -2.494 | 2.45 | 0.406 | 1 | 5 | 110.38 | 6 | 3 | 21 | 0 |
| TCMC2467 | C29H48O2 | Saringosterol | 428.37 | 1.8051 | 4.43 | 8.59 | 2 | 2 | 40.46 | 13 | 4 | 31 | 1 |
| TCMC3233 | C35H60O6 | Alexandrin,Daucosterol,Eleutheroside A | 576.4389896 | -0.4469 | 4.65 | 10.487 | 6 | 4 | 99.38 | 9 | 5 | 41 | 1 |
| TCMC3563 | C14H20O7 | Rhodioloside,Salidroside | 300.120903 | -2.4003 | 2.23 | 0.063 | 6 | 5 | 119.61 | 5 | 2 | 21 | 0 |
Showing 1 to 10 of 28 entries
Download Data
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