Description of the Component
Component ID |
TCMH1396 |
Latin Name |
Portulaca oleracea |
English Name |
Purslane |
Chinese Pinyin Name |
Ma Chi Xian |
中文名 |
马齿苋 |
TCM Properties |
Cold,Sour |
TCM Meridians |
Large Intestine,Liver |
Therapeutic Class English |
Heat clearence |
Therapeutic Class Chinese |
清热 |
Functions |
remove toxic heat, and arrest bleeding |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAK4834-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1856 | Bitter Shen Decoction for Promoting Urine | 苦参通淋方 |
| TCMF3034 | Bai Ling Tablets | 白灵片 |
| TCMF3879 | Fu Fang Qing Dai Pills | 复方青黛丸 |
| TCMF4087 | Li Yan Ning Tablets | 痢炎宁片 |
| TCMF5558 | Shen Yan Ling Capsules | 肾炎灵胶囊 |
| TCMF5624 | Wei Fu Granules | 胃福颗粒 |
| TCMF6164 | Zhi Shu Shi Xi Oral Liquid | 痔舒适洗液 |
| TCMFx2161 | Clearing and Kidney-Calming Decoction | |
| TCMFx3418 | Die Da Wan Hua You | 跌打万花油 |
| TCMFx4058 | Ma Chi Xian Tablets | 马齿苋片 |
Showing 1 to 10 of 20 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 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
| TCMT128 | TNKS2 | Tankyrase-2 | Transferase | Q9H2K2 |
| TCMT129 | TNKS | Tankyrase-1 | Transferase | O95271 |
Showing 1 to 10 of 187 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1092 | Fatty acid synthase |
| TCMT1093 | Enoyl-acyl-carrier protein reductase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1099 | Neuraminidase |
| TCMT1104 | Sortase |
| TCMT1108 | Integrase |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
Showing 1 to 10 of 43 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: TCMC948
Formula: C9H8O3
Ingredient ID: TCMC948
| Common Name | Coumaric Acid |
| IUPAC Name | (E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ |
| Standard InCHIKey | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
| External Identifiers | ChEMBL [CHEMBL66879]; PubChem [637542]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Showing 1 to 10 of 126 entries
Ingredient ID: 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: TCMC872
Formula: C10H14O
Ingredient ID: TCMC872
| Common Name | Carvacrol |
| IUPAC Name | 2-methyl-5-propan-2-ylphenol |
| Canonical SMILES | CC(c1ccc(c(c1)O)C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3 |
| Standard InCHIKey | RECUKUPTGUEGMW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL281202]; PubChem [10364]; |
| Reference of Component-Ingredient Pair | 29658714 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 74 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: 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: TCMC791
Formula: C40H56
Ingredient ID: TCMC791
| Common Name | Beta Carotene |
| IUPAC Name | 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene |
| Canonical SMILES | C/C(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C |
| Standard InCHI | InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ |
| Standard InCHIKey | OENHQHLEOONYIE-JLTXGRSLSA-N |
| External Identifiers | ChEMBL [CHEMBL1293]; PubChem [5280489]; |
| Reference of Component-Ingredient Pair | 21569430 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| 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 |
| TCMH1228 | Capsicum frutescens | La Jiao | 辣椒 |
| TCMH1230 | Capsicum frutescens | La Jiao Jin Chu Ye | 辣椒浸出液 |
Showing 1 to 10 of 67 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: TCMC715
Formula: C20H32O2
Ingredient ID: TCMC715
| Common Name | Arachidonic Acid |
| IUPAC Name | (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid |
| Canonical SMILES | CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)O |
| Standard InCHI | InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15- |
| Standard InCHIKey | YZXBAPSDXZZRGB-DOFZRALJSA-N |
| External Identifiers | ChEMBL [CHEMBL15594]; PubChem [444899]; |
| Reference of Component-Ingredient Pair | 21731166 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1939 | Combretum indicum | Shi Jun Zi Ren | 使君子仁 |
| TCMH1987 | Silybum marianum | Shui Fei Ji | 水飞蓟 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH309 | Curcuma longa | Chuan Yu Jin | 川郁金 |
| TCMH346 | Selaginella uncinata | Cui Yun Cao | 翠云草 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC710
Formula: C15H10O5
Ingredient ID: TCMC710
| Common Name | Apigenin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H |
| Standard InCHIKey | KZNIFHPLKGYRTM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL28]; PubChem [5280443]; |
| Reference of Component-Ingredient Pair | 29162470 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 159 entries
Ingredient ID: TCMC6822
Formula: C24H26N2O13
Ingredient ID: TCMC6822
| Common Name | Betanin |
| IUPAC Name | 1-[(2Z)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate |
| Canonical SMILES | OCC1OC(Oc2cc3CC([N+](=C/C=C4/CC(NC(=C4)C(=O)[O-])C(=O)[O-])c3cc2O)C(=O)[O-])C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/p-2 |
| Standard InCHIKey | DHHFDKNIEVKVKS-UHFFFAOYSA-L |
| External Identifiers | ChEMBL [N/A]; PubChem [54600918]; |
| Reference of Component-Ingredient Pair | 25178819 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC655
Formula: C4H6N4O3
Ingredient ID: TCMC655
| Common Name | Allantoin |
| IUPAC Name | (2,5-dioxoimidazolidin-4-yl)urea |
| Canonical SMILES | OC(=N)NC1N=C(N=C1O)O |
| Standard InCHI | InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) |
| Standard InCHIKey | POJWUDADGALRAB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL593429]; PubChem [204]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH1462 | Moschus moschiferus | Mao She Xiang | 毛麝香 |
| TCMH1463 | Moschus moschiferus | Mao She Xiang Jin Gao | 毛麝香浸膏 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1693 | Aristolochia debilis | Qing Mu Xiang | 青木香 |
| TCMH1717 | Moschus moschiferus | Ren Gong She Xiang | 人工麝香 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1880 | Moschus moschiferus | She Xiang | 麝香 |
Showing 1 to 10 of 20 entries
Ingredient ID: TCMC6389
Formula: C31H37NO17
Ingredient ID: TCMC6389
| Common Name | Oleracein D |
| IUPAC Name | (2S)-5-hydroxy-1-[(E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindole-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2OC)/C=C/C(=O)N2[C@@H](Cc3c2cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c(c3)O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C31H37NO17/c1-45-19-6-12(2-4-17(19)46-30-27(41)25(39)23(37)20(10-33)48-30)3-5-22(36)32-14-9-18(16(35)8-13(14)7-15(32)29(43)44)47-31-28(42)26(40)24(38)21(11-34)49-31/h2-6,8-9,15,20-21,23-28,30-31,33-35,37-42H,7,10-11H2,1H3,(H,43,44)/p-1/b5-3+/t15-,20+,21+,23+,24+,25-,26-,27+,28+,30+,31+/m0/s1 |
| Standard InCHIKey | GRIGERORCOQKIJ-PYCQGYPLSA-M |
| External Identifiers | ChEMBL [CHEMBL3739685]; PubChem [21574475]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6388
Formula: C30H35NO16
Ingredient ID: TCMC6388
| Common Name | Oleracein C |
| IUPAC Name | (2S)-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]-2,3-dihydroindole-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/C(=O)N2[C@@H](Cc3c2cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c(c3)O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C30H35NO16/c32-10-19-22(36)24(38)26(40)29(46-19)44-14-4-1-12(2-5-14)3-6-21(35)31-15-9-18(17(34)8-13(15)7-16(31)28(42)43)45-30-27(41)25(39)23(37)20(11-33)47-30/h1-6,8-9,16,19-20,22-27,29-30,32-34,36-41H,7,10-11H2,(H,42,43)/p-1/b6-3+/t16-,19+,20+,22+,23+,24-,25-,26+,27+,29+,30+/m0/s1 |
| Standard InCHIKey | FDKIQKZQSBQELL-DBIVONCISA-M |
| External Identifiers | ChEMBL [CHEMBL3741758]; PubChem [21574474]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6387
Formula: C25H27NO12
Ingredient ID: TCMC6387
| Common Name | Oleracein B |
| IUPAC Name | (2S)-5-hydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindole-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc3c(cc2O)C[C@H](N3C(=O)/C=C/c2ccc(c(c2)OC)O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C25H27NO12/c1-36-17-6-11(2-4-15(17)28)3-5-20(30)26-13-9-18(16(29)8-12(13)7-14(26)24(34)35)37-25-23(33)22(32)21(31)19(10-27)38-25/h2-6,8-9,14,19,21-23,25,27-29,31-33H,7,10H2,1H3,(H,34,35)/p-1/b5-3+/t14-,19+,21+,22-,23+,25+/m0/s1 |
| Standard InCHIKey | HTRBZHHBMJDWGG-CGHSGWKJSA-M |
| External Identifiers | ChEMBL [CHEMBL3740446]; PubChem [21574473]; |
| Reference of Component-Ingredient Pair | 19140117 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6386
Formula: C24H25NO11
Ingredient ID: TCMC6386
| Common Name | Oleracein A |
| IUPAC Name | (2S)-5-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindole-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc3c(cc2O)C[C@H](N3C(=O)/C=C/c2ccc(cc2)O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C24H25NO11/c26-10-18-20(30)21(31)22(32)24(36-18)35-17-9-14-12(8-16(17)28)7-15(23(33)34)25(14)19(29)6-3-11-1-4-13(27)5-2-11/h1-6,8-9,15,18,20-22,24,26-28,30-32H,7,10H2,(H,33,34)/p-1/b6-3+/t15-,18+,20+,21-,22+,24+/m0/s1 |
| Standard InCHIKey | VICXKBPMEPRWFK-GTKZJKJXSA-M |
| External Identifiers | ChEMBL [CHEMBL3742286]; PubChem [21574472]; |
| Reference of Component-Ingredient Pair | 26562741 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC631
Formula: C5H5N5
Ingredient ID: TCMC631
| Common Name | Adenine |
| IUPAC Name | 7H-purin-6-amine |
| Canonical SMILES | Nc1nc[nH]c2c1ncn2 |
| Standard InCHI | InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) |
| Standard InCHIKey | GFFGJBXGBJISGV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL226345]; PubChem [190]; |
| Reference of Component-Ingredient Pair | 24211769 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC5614
Formula: C12H13NO3
Ingredient ID: TCMC5614
| Common Name | Oleracein E |
| IUPAC Name | (10bS)-8,9-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one |
| Canonical SMILES | O=C1CC[C@@H]2N1CCc1c2cc(c(c1)O)O |
| Standard InCHI | InChI=1S/C12H13NO3/c14-10-5-7-3-4-13-9(1-2-12(13)16)8(7)6-11(10)15/h5-6,9,14-15H,1-4H2/t9-/m0/s1 |
| Standard InCHIKey | LJIDRFNRDLYHNC-VIFPVBQESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11160309]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5542
Formula: C6H12O6
Ingredient ID: TCMC5542
| Common Name | D-Glucose,Glucose |
| IUPAC Name | (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal |
| Canonical SMILES | OC[C@@H]([C@@H]([C@H]([C@@H](C=O)O)O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m1/s1 |
| Standard InCHIKey | GZCGUPFRVQAUEE-VANKVMQKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10954115]; |
| Reference of Component-Ingredient Pair | 7537337 |
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: TCMC532
Formula: C21H20O12
Ingredient ID: TCMC532
| Common Name | 5,7-Dihydroxy-3-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxy-2-(3,4,5-Trihydroxyphenyl)Chromen-4-One |
| IUPAC Name | 5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(C)C(C(C1O)O)O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3 |
| Standard InCHIKey | DCYOADKBABEMIQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1599224]; PubChem [5352000]; |
| Reference of Component-Ingredient Pair | 17070780 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5049
Formula: C24H26N2O13
Ingredient ID: TCMC5049
| Common Name | Isobetanin |
| IUPAC Name | (2S)-1-[(2E)-2-[(2R)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc3C[C@H]([N+](=C/C=C/4C[C@@H](NC(=C4)C(=O)[O-])C(=O)[O-])c3cc2O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/p-2/t12-,14+,17-,18-,19+,20-,24-/m1/s1 |
| Standard InCHIKey | DHHFDKNIEVKVKS-RYGANQNKSA-L |
| External Identifiers | ChEMBL [N/A]; PubChem [6325438]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC465
Formula: C8H11NO3
Ingredient ID: TCMC465
| Common Name | 4-(2-Amino-1-Hydroxyethyl)Benzene-1,2-Diol |
| IUPAC Name | 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol |
| Canonical SMILES | NCC(c1ccc(c(c1)O)O)O |
| Standard InCHI | InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 |
| Standard InCHIKey | SFLSHLFXELFNJZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL432]; PubChem [951]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2889
Formula: C9H11NO4
Ingredient ID: TCMC2889
| Common Name | Dopa |
| IUPAC Name | (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid |
| Canonical SMILES | [O-]C(=O)[C@H](Cc1ccc(c(c1)O)O)[NH3+] |
| Standard InCHI | InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 |
| Standard InCHIKey | WTDRDQBEARUVNC-LURJTMIESA-N |
| External Identifiers | ChEMBL [CHEMBL1009]; PubChem [6047]; |
| Reference of Component-Ingredient Pair | 24161480 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2886
Formula: C12H22O11
Ingredient ID: TCMC2886
| Common Name | Sucrose |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 |
| Standard InCHIKey | CZMRCDWAGMRECN-UGDNZRGBSA-N |
| External Identifiers | ChEMBL [CHEMBL253582]; PubChem [5988]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1329 | Arillus longan | Long Yan Rou | 龙眼肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2870
Formula: C6H12O6
Ingredient ID: TCMC2870
| Common Name | Fructose |
| IUPAC Name | 2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Canonical SMILES | OCC1(O)OCC(C(C1O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2 |
| Standard InCHIKey | LKDRXBCSQODPBY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL23954]; PubChem [3426]; |
| Reference of Component-Ingredient Pair | US2014154257 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2853
Formula: C2H2O4
Ingredient ID: TCMC2853
| Common Name | Oxalic Acid |
| IUPAC Name | oxalic acid |
| Canonical SMILES | [O-]C(=O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2 |
| Standard InCHIKey | MUBZPKHOEPUJKR-UHFFFAOYSA-L |
| External Identifiers | ChEMBL [CHEMBL146755]; PubChem [971]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2844
Formula: C4H6O5
Ingredient ID: TCMC2844
| Common Name | Malic Acid |
| IUPAC Name | 2-hydroxybutanedioic acid |
| Canonical SMILES | [O-]C(=O)CC(C(=O)[O-])O |
| Standard InCHI | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2 |
| Standard InCHIKey | BJEPYKJPYRNKOW-UHFFFAOYSA-L |
| External Identifiers | ChEMBL [CHEMBL1455497]; PubChem [525]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH206 | Fructus xanthii sibirici | Cang Er Zi | 苍耳子 |
| TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
| TCMH46 | Stemona tuberosa | Bai Bu | 百部 |
| TCMH90 | Imperata cylindrica | Bai Mao Gen | 白茅根 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2822
Formula: C15H24
Ingredient ID: TCMC2822
| Common Name | Alpha-Humulone |
| IUPAC Name | (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
| Canonical SMILES | C/C/1=CCC(C)(C)/C=C/C/C(=C/CC1)/C |
| Standard InCHI | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ |
| Standard InCHIKey | FAMPSKZZVDUYOS-HRGUGZIWSA-N |
| External Identifiers | ChEMBL [CHEMBL251280]; PubChem [5281520]; |
| Reference of Component-Ingredient Pair | 29248443 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
Showing 1 to 10 of 111 entries
Ingredient ID: TCMC2578
Formula: C10H12O2
Ingredient ID: TCMC2578
| Common Name | Isoeugenol |
| IUPAC Name | 2-methoxy-4-[(Z)-prop-1-enyl]phenol |
| Canonical SMILES | C/C=Cc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3- |
| Standard InCHIKey | BJIOGJUNALELMI-ARJAWSKDSA-N |
| External Identifiers | ChEMBL [CHEMBL445206]; PubChem [1549041]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
| TCMH2613 | Citrus aurantium | Zhi Geng | 枳梗 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2619 | Citrus aurantium | Zhi Ke Gan Jin Gao | 枳壳干浸膏 |
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH388 | Ziziphus jujuba | Da Zao | 大枣 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC2464
Formula: C11H18N2O2
Ingredient ID: TCMC2464
| Common Name | Cyclo(L-Leu-L-Pro) |
| IUPAC Name | (3S,8aS)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| Canonical SMILES | CC(C[C@@H]1N=C(O)[C@H]2N(C1=O)CCC2)C |
| Standard InCHI | InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9-/m0/s1 |
| Standard InCHIKey | SZJNCZMRZAUNQT-IUCAKERBSA-N |
| External Identifiers | ChEMBL [CHEMBL508326]; PubChem [7074739]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC242
Formula: C13H24N2O
Ingredient ID: TCMC242
| Common Name | 1,3-Dicyclohexylurea |
| IUPAC Name | 1,3-dicyclohexylurea |
| Canonical SMILES | OC(=NC1CCCCC1)NC1CCCCC1 |
| Standard InCHI | InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16) |
| Standard InCHIKey | ADFXKUOMJKEIND-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1458]; PubChem [4277]; |
| Reference of Component-Ingredient Pair | N/A |
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: TCMC2233
Formula: C21H20O10
Ingredient ID: TCMC2233
| Common Name | Vitexin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O |
| Standard InCHI | InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1 |
| Standard InCHIKey | SGEWCQFRYRRZDC-VPRICQMDSA-N |
| External Identifiers | ChEMBL [CHEMBL487417]; PubChem [5280441]; |
| Reference of Component-Ingredient Pair | 22475010 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1073 | Gynostemma pentaphyllum | Jiao Gu Lan | 绞股蓝 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
Showing 1 to 10 of 54 entries
Ingredient ID: TCMC2230
Formula: C27H30O15
Ingredient ID: TCMC2230
| Common Name | Vicenin-2 |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c(c2c1oc(cc2=O)c1ccc(cc1)O)O |
| Standard InCHI | InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1 |
| Standard InCHIKey | FIAAVMJLAGNUKW-VQVVXJKKSA-N |
| External Identifiers | ChEMBL [CHEMBL1442950]; PubChem [442664]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1987 | Silybum marianum | Shui Fei Ji | 水飞蓟 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH2300 | Triticum aestivum | Xiao Mai | 小麦 |
| TCMH2306 | Buxus microphylla | Xiao Ye Huang Yang | 小叶黄杨 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC2219
Formula: C18H34O2
Ingredient ID: TCMC2219
| Common Name | Vaccenic Acid |
| IUPAC Name | (Z)-octadec-11-enoic acid |
| Canonical SMILES | CCCCCC/C=CCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7- |
| Standard InCHIKey | UWHZIFQPPBDJPM-FPLPWBNLSA-N |
| External Identifiers | ChEMBL [CHEMBL1236642]; PubChem [5282761]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH79 | Sinapis alba | Bai Jie Zi | 白芥子 |
| TCMH848 | Sesamum indicum | Hei Zhi Ma | 黑芝麻 |
| TCMH913 | Sesamum indicum | Hu Ma | 胡麻 |
| TCMH914 | Sesamum indicum | Hu Ma Ren | 胡麻仁 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC218
Formula: C22H18O11
Ingredient ID: TCMC218
| Common Name | [5,7-Dihydroxy-2-(3,4,5-Trihydroxyphenyl)-3,4-Dihydro-2H-Chromen-3-Yl] 3,4,5-Trihydroxybenzoate |
| IUPAC Name | [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | Oc1cc(O)c2c(c1)OC(C(C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2 |
| Standard InCHIKey | WMBWREPUVVBILR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL311663]; PubChem [1287]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1615 | Eriobotrya japonica | Pi Ba Ren | 枇杷仁 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH2715 | Ardisia japonica | Zi Jin Niu | 紫金牛 |
| TCMH86 | Ampelopsis japonica | Bai Lian | 白蔹 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC209
Formula: C4H6N4O3
Ingredient ID: TCMC209
| Common Name | [(4S)-2,5-Dioxoimidazolidin-4-Yl]Urea |
| IUPAC Name | [(4S)-2,5-dioxoimidazolidin-4-yl]urea |
| Canonical SMILES | OC(=N)N[C@H]1N=C(N=C1O)O |
| Standard InCHI | InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m0/s1 |
| Standard InCHIKey | POJWUDADGALRAB-SFOWXEAESA-N |
| External Identifiers | ChEMBL [CHEMBL1230080]; PubChem [439714]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2055
Formula: C21H18O12
Ingredient ID: TCMC2055
| Common Name | Scutellarin |
| IUPAC Name | (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-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)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1 |
| Standard InCHIKey | DJSISFGPUUYILV-ZFORQUDYSA-N |
| External Identifiers | ChEMBL [CHEMBL487805]; PubChem [185617]; |
| Reference of Component-Ingredient Pair | 17323972 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH440 | Erigeron breviscapus | Deng Zhan Xi Xin | 灯盏细辛 |
| 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 10 of 10 entries
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: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1982
| Common Name | Quercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
| Standard InCHIKey | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL50]; PubChem [5280343]; |
| Reference of Component-Ingredient Pair | 26766292 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 278 entries
Ingredient ID: TCMC1832
Formula: C16H30O2
Ingredient ID: TCMC1832
| Common Name | Palmitoleic Acid |
| IUPAC Name | (Z)-hexadec-9-enoic acid |
| Canonical SMILES | CCCCCC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- |
| Standard InCHIKey | SECPZKHBENQXJG-FPLPWBNLSA-N |
| External Identifiers | ChEMBL [CHEMBL453509]; PubChem [445638]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
Showing 1 to 10 of 80 entries
Ingredient ID: TCMC1830
Formula: C16H32O2
Ingredient ID: TCMC1830
| Common Name | Palmitic Acid |
| IUPAC Name | hexadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) |
| Standard InCHIKey | IPCSVZSSVZVIGE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL82293]; PubChem [985]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
Showing 1 to 10 of 274 entries
Ingredient ID: TCMC182
Formula: C9H8O4
Ingredient ID: TCMC182
| Common Name | (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid |
| IUPAC Name | (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=Cc1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2- |
| Standard InCHIKey | QAIPRVGONGVQAS-RQOWECAXSA-N |
| External Identifiers | ChEMBL [CHEMBL1320034]; PubChem [1549111]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
Showing 1 to 10 of 154 entries
Ingredient ID: TCMC1788
Formula: C18H34O2
Ingredient ID: TCMC1788
| Common Name | Oleic Acid |
| IUPAC Name | (Z)-octadec-9-enoic acid |
| Canonical SMILES | CCCCCCCC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- |
| Standard InCHIKey | ZQPPMHVWECSIRJ-KTKRTIGZSA-N |
| External Identifiers | ChEMBL [CHEMBL8659]; PubChem [445639]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 166 entries
Ingredient ID: TCMC1767
Formula: C18H19NO4
Ingredient ID: TCMC1767
| Common Name | N-Trans-Feruloyl Tyramine |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide |
| Canonical SMILES | COc1cc(/C=C/C(=NCCc2ccc(cc2)O)O)ccc1O |
| Standard InCHI | InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+ |
| Standard InCHIKey | NPNNKDMSXVRADT-WEVVVXLNSA-N |
| External Identifiers | ChEMBL [CHEMBL206555]; PubChem [5280537]; |
| Reference of Component-Ingredient Pair | 11509987 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1265 | Chenopodium album | Li | 藜 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
Showing 1 to 10 of 41 entries
Ingredient ID: TCMC1758
Formula: C8H11NO3
Ingredient ID: TCMC1758
| Common Name | Norepinephrine |
| IUPAC Name | 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol |
| Canonical SMILES | NC[C@@H](c1ccc(c(c1)O)O)O |
| Standard InCHI | InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1 |
| Standard InCHIKey | SFLSHLFXELFNJZ-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [CHEMBL1437]; PubChem [439260]; |
| Reference of Component-Ingredient Pair | 25729574 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC1753
Formula: C18H21NO3
Ingredient ID: TCMC1753
| Common Name | Norarmepavine |
| IUPAC Name | 4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol |
| Canonical SMILES | COc1cc2[C@@H](NCCc2cc1OC)Cc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C18H21NO3/c1-21-17-10-13-7-8-19-16(15(13)11-18(17)22-2)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,19-20H,7-9H2,1-2H3/t16-/m0/s1 |
| Standard InCHIKey | NKBBUUNAVOMVER-INIZCTEOSA-N |
| External Identifiers | ChEMBL [CHEMBL453038]; PubChem [6999736]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
| TCMH2268 | Musa paradisiaca var. sapientum | Xiang Jiao | 橡胶 |
| TCMH816 | Albizzia julibrissin | He Huan Pi | 合欢皮 |
Showing 1 to 10 of 10 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: TCMC1611
Formula: C14H28O2
Ingredient ID: TCMC1611
| Common Name | Myristic Acid |
| IUPAC Name | tetradecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) |
| Standard InCHIKey | TUNFSRHWOTWDNC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL111077]; PubChem [11005]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
Showing 1 to 10 of 123 entries
Ingredient ID: TCMC1609
Formula: C15H10O8
Ingredient ID: TCMC1609
| Common Name | Myricetin |
| IUPAC Name | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H |
| Standard InCHIKey | IKMDFBPHZNJCSN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL164]; PubChem [5281672]; |
| Reference of Component-Ingredient Pair | 25349334 |
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 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1348 | Liquidambar formosana | Lu Lu Tong | 路路通 |
Showing 1 to 10 of 62 entries
Ingredient ID: TCMC1608
Formula: C10H16
Ingredient ID: TCMC1608
| Common Name | Myrcene |
| IUPAC Name | 7-methyl-3-methylideneocta-1,6-diene |
| Canonical SMILES | C=CC(=C)CCC=C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3 |
| Standard InCHIKey | UAHWPYUMFXYFJY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL455491]; PubChem [31253]; |
| Reference of Component-Ingredient Pair | 22835693 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1114 | Herba glechomae longitubae | Jin Qian Cao | 金钱草 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 151 entries
Ingredient ID: TCMC1516
Formula: C15H10O6
Ingredient ID: TCMC1516
| Common Name | Luteolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H |
| Standard InCHIKey | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL151]; PubChem [5280445]; |
| Reference of Component-Ingredient Pair | 23122135 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 140 entries
Ingredient ID: TCMC1515
Formula: C30H50O
Ingredient ID: TCMC1515
| Common Name | Lupeol |
| IUPAC Name | (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C |
| Standard InCHI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
| Standard InCHIKey | MQYXUWHLBZFQQO-QGTGJCAVSA-N |
| External Identifiers | ChEMBL [CHEMBL289191]; PubChem [259846]; |
| Reference of Component-Ingredient Pair | 22898386 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
Showing 1 to 10 of 60 entries
Ingredient ID: TCMC1507
Formula: C8H11NO3
Ingredient ID: TCMC1507
| Common Name | L-Norepinephrine |
| IUPAC Name | 4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol |
| Canonical SMILES | NC[C@H](c1ccc(c(c1)O)O)O |
| Standard InCHI | InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m1/s1 |
| Standard InCHIKey | SFLSHLFXELFNJZ-MRVPVSSYSA-N |
| External Identifiers | ChEMBL [CHEMBL18824]; PubChem [5814]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1500
Formula: C21H22O9
Ingredient ID: TCMC1500
| Common Name | Liquiritin |
| IUPAC Name | (2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3c(O2)cc(cc3)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1 |
| Standard InCHIKey | DEMKZLAVQYISIA-ZRWXNEIDSA-N |
| External Identifiers | ChEMBL [CHEMBL511995]; PubChem [503737]; |
| Reference of Component-Ingredient Pair | 29186346 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| 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 |
| TCMH631 | Glycyrrhiza uralensis | Gan Cao Gan Gao Fen | 甘草干膏粉 |
| TCMH632 | Glycyrrhiza uralensis | Gan Cao Gan Jin Gao | 甘草干浸膏 |
| TCMH633 | Glycyrrhiza uralensis | Gan Cao Gao | 甘草膏 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC1496
Formula: C18H30O2
Ingredient ID: TCMC1496
| Common Name | Linolenic Acid |
| IUPAC Name | (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid |
| Canonical SMILES | CC/C=CC/C=CC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- |
| Standard InCHIKey | DTOSIQBPPRVQHS-PDBXOOCHSA-N |
| External Identifiers | ChEMBL [CHEMBL8739]; PubChem [5280934]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Showing 1 to 10 of 132 entries
Ingredient ID: TCMC1495
Formula: C18H32O2
Ingredient ID: TCMC1495
| Common Name | Linoleic Acid |
| IUPAC Name | (9Z,12Z)-octadeca-9,12-dienoic acid |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- |
| Standard InCHIKey | OYHQOLUKZRVURQ-HZJYTTRNSA-N |
| External Identifiers | ChEMBL [CHEMBL267476]; PubChem [5280450]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 216 entries
Ingredient ID: TCMC1474
Formula: C9H11NO4
Ingredient ID: TCMC1474
| Common Name | Levodopa |
| IUPAC Name | (2S)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate |
| Canonical SMILES | OC(=O)[C@H](Cc1ccc(c(c1)O)O)N |
| Standard InCHI | InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 |
| Standard InCHIKey | WTDRDQBEARUVNC-LURJTMIESA-N |
| External Identifiers | ChEMBL [CHEMBL1009]; PubChem [6971033]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1459
Formula: C3H7NO2
Ingredient ID: TCMC1459
| Common Name | L-Alanine |
| IUPAC Name | (2S)-2-aminopropanoic acid |
| Canonical SMILES | C[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 |
| Standard InCHIKey | QNAYBMKLOCPYGJ-REOHCLBHSA-N |
| External Identifiers | ChEMBL [CHEMBL279597]; PubChem [5950]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1294 | Cornu saigae tataricae | Ling Yang Jiao | 羚羊角 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
Showing 1 to 10 of 48 entries
Ingredient ID: TCMC1429
Formula: C15H10O6
Ingredient ID: TCMC1429
| Common Name | Kaempferol |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H |
| Standard InCHIKey | IYRMWMYZSQPJKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL150]; PubChem [5280863]; |
| Reference of Component-Ingredient Pair | 29162470 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Showing 1 to 10 of 188 entries
Ingredient ID: TCMC1411
Formula: C16H12O7
Ingredient ID: TCMC1411
| Common Name | Isorhamnetin |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O |
| Standard InCHI | InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 |
| Standard InCHIKey | IZQSVPBOUDKVDZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL379064]; PubChem [5281654]; |
| Reference of Component-Ingredient Pair | 23046518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| 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 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 62 entries
Ingredient ID: TCMC1400
Formula: C21H22O9
Ingredient ID: TCMC1400
| Common Name | Isoliquiritin |
| IUPAC Name | (E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/C(=O)c2ccc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | YNWXJFQOCHMPCK-LXGDFETPSA-N |
| External Identifiers | ChEMBL [CHEMBL599763]; PubChem [5318591]; |
| Reference of Component-Ingredient Pair | 3240462 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1383 | Onobrychis viciifolia | Lv Dou | 绿豆 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH312 | Sedum sarmentosum | Chui Pen Cao | 垂盆草 |
| TCMH313 | Sedum sarmentosum | Chui Pen Cao Qing Gao | 垂盆草清膏 |
| 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: TCMC1389
Formula: C10H12O2
Ingredient ID: TCMC1389
| Common Name | Isoeugenol |
| IUPAC Name | 2-methoxy-4-[(E)-prop-1-enyl]phenol |
| Canonical SMILES | C/C=C/c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+ |
| Standard InCHIKey | BJIOGJUNALELMI-ONEGZZNKSA-N |
| External Identifiers | ChEMBL [CHEMBL193598]; PubChem [853433]; |
| Reference of Component-Ingredient Pair | 27986436 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
Showing 1 to 10 of 39 entries
Ingredient ID: 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: TCMC1206
Formula: C21H20O11
Ingredient ID: TCMC1206
| Common Name | Galuteolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | PEFNSGRTCBGNAN-QNDFHXLGSA-N |
| External Identifiers | ChEMBL [CHEMBL233929]; PubChem [5280637]; |
| Reference of Component-Ingredient Pair | 22885972 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1125 | Herba chrysosplenii | Jin Yao Cao | 金腰草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1204
Formula: C15H14O7
Ingredient ID: TCMC1204
| Common Name | Gallocatechin |
| IUPAC Name | (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1 |
| Standard InCHIKey | XMOCLSLCDHWDHP-SWLSCSKDSA-N |
| External Identifiers | ChEMBL [CHEMBL125743]; PubChem [65084]; |
| Reference of Component-Ingredient Pair | 21110817 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC1192
Formula: C30H50O
Ingredient ID: TCMC1192
| Common Name | Friedeline |
| IUPAC Name | (4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
| Canonical SMILES | O=C1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C |
| Standard InCHI | InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 |
| Standard InCHIKey | OFMXGFHWLZPCFL-SVRPQWSVSA-N |
| External Identifiers | ChEMBL [CHEMBL485998]; PubChem [91472]; |
| Reference of Component-Ingredient Pair | 20026015 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
Showing 1 to 10 of 45 entries
Ingredient ID: 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: TCMC1102
Formula: C14H6O8
Ingredient ID: TCMC1102
| Common Name | Ellagic Acid |
| IUPAC Name | n.a. |
| Canonical SMILES | Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O |
| Standard InCHI | InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H |
| Standard InCHIKey | AFSDNFLWKVMVRB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL6246]; PubChem [5281855]; |
| Reference of Component-Ingredient Pair | 28153595 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1132 | Radix rosae laevigatae | Jin Ying Gen | 金樱根 |
| 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 |
| TCMH1139 | Radix euphorbiae pekinensis | Jing Da Ji | 京大戟 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
Showing 1 to 10 of 64 entries
Ingredient ID: TCMC1083
Formula: C8H11NO2
Ingredient ID: TCMC1083
| Common Name | Dopamine |
| IUPAC Name | 4-(2-aminoethyl)benzene-1,2-diol |
| Canonical SMILES | NCCc1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 |
| Standard InCHIKey | VYFYYTLLBUKUHU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL59]; PubChem [681]; |
| Reference of Component-Ingredient Pair | 27506881 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1082
Formula: C9H11NO4
Ingredient ID: TCMC1082
| Common Name | Dopa |
| IUPAC Name | 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid |
| Canonical SMILES | OC(=O)C(Cc1ccc(c(c1)O)O)N |
| Standard InCHI | InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14) |
| Standard InCHIKey | WTDRDQBEARUVNC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL351042]; PubChem [836]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1082 | C9H11NO4 | Dopa | 197.07 | -2.005 | 1.9 | -2.111 | 3 | 4 | 103.78 | 7 | 1 | 14 | 0 |
| TCMC1083 | C8H11NO2 | Dopamine | 153.08 | -1.4033 | 2.01 | 0.57 | 1 | 3 | 66.48 | 5 | 1 | 11 | 0 |
| TCMC1102 | C14H6O8 | Ellagic Acid | 302.01 | -2.0234 | 2.12 | -0.046 | 2 | 4 | 133.52 | 4 | 4 | 22 | 0 |
| TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
| TCMC1192 | C30H50O | Friedeline | 426.39 | 3.2175 | 4.65 | 12.613 | 1 | 0 | 17.07 | 8 | 5 | 31 | 1 |
| TCMC1204 | C15H14O7 | Gallocatechin | 306.07 | -2.9543 | 2.34 | -0.128 | 1 | 6 | 130.61 | 7 | 3 | 22 | 1 |
| TCMC1206 | C21H20O11 | Galuteolin | 448.1 | -4.0917 | 2.56 | -0.075 | 6 | 7 | 186.37 | 11 | 4 | 32 | 1 |
| TCMC1321 | C28H34O15 | Hesperidin | 610.19 | -4.86 | 2.89 | -1.489 | 10 | 8 | 234.29 | 17 | 5 | 43 | 1 |
| TCMC1389 | C10H12O2 | Isoeugenol | 164.08 | 0.3952 | 2.34 | 2.805 | 0 | 1 | 29.46 | 5 | 1 | 12 | 0 |
| TCMC1400 | C21H22O9 | Isoliquiritin | 418.13 | -3.0305 | 2.78 | 1.656 | 6 | 6 | 156.91 | 12 | 3 | 30 | 1 |
Showing 1 to 10 of 72 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
