Description of the Component
Component ID |
TCMH1796 |
Latin Name |
Morus alba |
English Name |
Mulberry |
Chinese Pinyin Name |
Sang Shen Qing Gao |
中文名 |
桑葚清膏 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
ITSAL1073-14 |
Barcode Source |
BOLDSYSTEMS |
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
| TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
| TCMT135 | CA14 | Carbonic anhydrase XIV | Lyase | Q9ULX7 |
Showing 1 to 10 of 60 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1092 | Fatty acid synthase |
| TCMT1093 | Enoyl-acyl-carrier protein reductase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1104 | Sortase |
| TCMT1178 | Actinomyces viscosus |
| TCMT1218 | Staphylococcus aureus |
| TCMT1221 | Human herpesvirus 4 |
| TCMT1246 | Escherichia coli |
| TCMT1346 | Helicobacter pylori |
| TCMT1438 | Plasmodium falciparum |
Showing 1 to 10 of 12 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: 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: 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: TCMC553
Formula: C6H6O3
Ingredient ID: TCMC553
| Common Name | 5-Hydroxymethyl-Furfural |
| IUPAC Name | 5-(hydroxymethyl)furan-2-carbaldehyde |
| Canonical SMILES | OCc1ccc(o1)C=O |
| Standard InCHI | InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 |
| Standard InCHIKey | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL185885]; PubChem [237332]; |
| Reference of Component-Ingredient Pair | 22953879 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1160 | Polygonatum sibiricum | Jiu Huang Jing | 酒黄精 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
Showing 1 to 10 of 90 entries
Ingredient ID: TCMC2204
Formula: C9H6O3
Ingredient ID: TCMC2204
| Common Name | Umbelliferone |
| IUPAC Name | 7-hydroxychromen-2-one |
| Canonical SMILES | Oc1ccc2c(c1)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H |
| Standard InCHIKey | ORHBXUUXSCNDEV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL51628]; PubChem [5281426]; |
| Reference of Component-Ingredient Pair | 24685503 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1139 | Radix euphorbiae pekinensis | Jing Da Ji | 京大戟 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1214 | Picrasma quassioides | Ku Mu | 苦木 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1245 | Stellera chamaejasme | Lang Du | 狼毒 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 76 entries
Ingredient ID: TCMC2190
Formula: C7H7NO2
Ingredient ID: TCMC2190
| Common Name | Trigonelline |
| IUPAC Name | 1-methylpyridin-1-ium-3-carboxylate |
| Canonical SMILES | C[n+]1cccc(c1)C(=O)[O-] |
| Standard InCHI | InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 |
| Standard InCHIKey | WWNNZCOKKKDOPX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL350675]; PubChem [5570]; |
| Reference of Component-Ingredient Pair | 20567778 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1539 | Cucurbita moschata | Nan Gua | 南瓜 |
| TCMH1669 | Radix solani melongenae | Qie Gen | 茄根 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2051
Formula: C10H8O4
Ingredient ID: TCMC2051
| Common Name | Scopoletin |
| IUPAC Name | 7-hydroxy-6-methoxychromen-2-one |
| Canonical SMILES | COc1cc2ccc(=O)oc2cc1O |
| Standard InCHI | InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 |
| Standard InCHIKey | RODXRVNMMDRFIK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL71851]; PubChem [5280460]; |
| Reference of Component-Ingredient Pair | 29559590 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
Showing 1 to 10 of 106 entries
Ingredient ID: TCMC2016
Formula: C17H20N4O6
Ingredient ID: TCMC2016
| Common Name | Riboflavin |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione |
| Canonical SMILES | OC[C@H]([C@H]([C@H](Cn1c2cc(C)c(cc2nc2c1nc(=O)nc2O)C)O)O)O |
| Standard InCHI | InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 |
| Standard InCHIKey | AUNGANRZJHBGPY-SCRDCRAPSA-N |
| External Identifiers | ChEMBL [CHEMBL1534]; PubChem [493570]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1329 | Arillus longan | Long Yan Rou | 龙眼肉 |
| TCMH1339 | Phragmites communis | Lu Gen | 芦根 |
| TCMH1383 | Onobrychis viciifolia | Lv Dou | 绿豆 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1663 | Semen euryales | Qian Shi | 芡实 |
Showing 1 to 10 of 26 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: TCMC1839
Formula: C7H6O3
Ingredient ID: TCMC1839
| Common Name | Paraben |
| IUPAC Name | 4-oxoniobenzoate |
| Canonical SMILES | Oc1ccc(cc1)C(=O)O |
| Standard InCHI | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) |
| Standard InCHIKey | FJKROLUGYXJWQN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL441343]; PubChem [3702506]; |
| Reference of Component-Ingredient Pair | 8087979 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
Showing 1 to 10 of 162 entries
Ingredient ID: TCMC1597
Formula: C15H10O7
Ingredient ID: TCMC1597
| Common Name | Morin |
| IUPAC Name | 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| Canonical SMILES | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H |
| Standard InCHIKey | YXOLAZRVSSWPPT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL28626]; PubChem [5281670]; |
| Reference of Component-Ingredient Pair | 28689916 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1462 | Moschus moschiferus | Mao She Xiang | 毛麝香 |
| TCMH1463 | Moschus moschiferus | Mao She Xiang Jin Gao | 毛麝香浸膏 |
| TCMH1717 | Moschus moschiferus | Ren Gong She Xiang | 人工麝香 |
| TCMH1790 | Cortex mori radicis praeparata | Sang Bai Pi Liu Jin Gao | 桑白皮流浸膏 |
| 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 |
Showing 1 to 10 of 20 entries
Ingredient ID: TCMC1449
Formula: C25H26O6
Ingredient ID: TCMC1449
| Common Name | Kuwanon C |
| IUPAC Name | 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one |
| Canonical SMILES | CC(=CCc1c(oc2c(c1=O)c(O)cc(c2CC=C(C)C)O)c1ccc(cc1O)O)C |
| Standard InCHI | InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3 |
| Standard InCHIKey | UWQYBLOHTQWSQD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL518543]; PubChem [5481958]; |
| Reference of Component-Ingredient Pair | 19686821 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1202
Formula: C7H6O5
Ingredient ID: TCMC1202
| Common Name | Gallic Acid |
| IUPAC Name | 3,4,5-trihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
| Standard InCHIKey | LNTHITQWFMADLM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL288114]; PubChem [370]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC114
Formula: C6H12O6
Ingredient ID: TCMC114
| Common Name | (3S,4S,5R,6R)-6-(Hydroxymethyl)Oxane-2,3,4,5-Tetrol |
| IUPAC Name | (3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Canonical SMILES | OC[C@H]1OC(O)[C@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5+,6?/m1/s1 |
| Standard InCHIKey | WQZGKKKJIJFFOK-WHZQZERISA-N |
| External Identifiers | ChEMBL [CHEMBL1519430]; PubChem [441035]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1794 | Morus alba | Sang Shen | 桑葚 |
| TCMH1795 | Morus alba | Sang Shen Jin Gao | 桑葚浸膏 |
| TCMH1796 | Morus alba | Sang Shen Qing Gao | 桑葚清膏 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH519 | Pogostemon cablin | Du Huo Xiang | 杜藿香 |
| TCMH728 | Pogostemon cablin | Guang Huo Xiang | 广藿香 |
Showing 1 to 8 of 8 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC114 | C6H12O6 | (3S,4S,5R,6R)-6-(Hydroxymethyl)Oxane-2,3,4,5-Tetrol | 180.06 | -2.5134 | 1.46 | -1.697 | 6 | 5 | 110.38 | 6 | 1 | 12 | 0 |
| TCMC1202 | C7H6O5 | Gallic Acid | 170.02 | -1.6207 | 1.68 | 0.002 | 2 | 4 | 97.99 | 5 | 1 | 12 | 0 |
| TCMC1449 | C25H26O6 | Kuwanon C | 422.17 | 1.3211 | 3.55 | 3.697 | 1 | 4 | 107.22 | 13 | 3 | 31 | 0 |
| TCMC1597 | C15H10O7 | Morin | 302.04 | -2.8012 | 2.34 | 0.952 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
| TCMC1839 | C7H6O3 | Paraben | 138.03 | -0.7001 | 1.9 | 1.07 | 2 | 2 | 57.53 | 3 | 1 | 10 | 0 |
| TCMC1956 | C7H6O4 | Protocatechuic Acid | 154.03 | -1.1604 | 1.79 | 0.536 | 2 | 3 | 77.76 | 4 | 1 | 11 | 0 |
| TCMC2016 | C17H20N4O6 | Riboflavin | 376.14 | -2.2465 | 2.23 | 0.067 | 10 | 5 | 158.54 | 12 | 3 | 27 | 0 |
| TCMC2051 | C10H8O4 | Scopoletin | 192.04 | -0.2421 | 2.12 | 1.088 | 1 | 1 | 55.76 | 3 | 2 | 14 | 0 |
| TCMC2190 | C7H7NO2 | Trigonelline | 137.05 | -2.2592 | 1.9 | 0.283 | 2 | 0 | 44.01 | 3 | 1 | 10 | 0 |
| TCMC2204 | C9H6O3 | Umbelliferone | 162.03 | -0.1903 | 2.12 | 1.532 | 1 | 1 | 46.53 | 1 | 2 | 12 | 0 |
Showing 1 to 10 of 15 entries
Download Data
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