Description of the Component
Component ID |
TCMH1197 |
Latin Name |
Selaginella tamariscina |
English Name |
Tamariskoid spikemoss |
Chinese Pinyin Name |
Juan Bai |
中文名 |
卷柏 |
TCM Properties |
Mild,Pungent |
TCM Meridians |
Liver,Heart |
Therapeutic Class English |
Bleeding control |
Therapeutic Class Chinese |
止血 |
Functions |
promote blood circulation and stimulate menstrual discharge, Herba Selaginellae (carbonized) remove blood stasis and arrest bleeding |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
GBVQ1566-13 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF203 | Qian Bai Bi Yan Capsule | 千柏鼻炎胶囊 |
| TCMF3598 | Feng Tong Pills | 风痛丸 |
| TCMF6022 | Yang Xue Qu Feng Pills | 养血祛风丸 |
| TCMFx1294 | Qianbai Biyan Tablets; Rhinitis Tablet of Climbing Groundsel and Spikemoss | 千柏鼻炎片 |
| TCMFx1945 | Qianbai Biyan Tablets | 千柏鼻炎片 |
| TCMFx3418 | Die Da Wan Hua You | 跌打万花油 |
| TCMFx4974 | Qian Bai Bi Yan Capsules | 千柏鼻炎胶囊 |
| TCMFx4982 | Qian Bai Bi Yan Tablets | 千柏鼻炎片 |
| TCMFx5694 | Shang Ke Wan Hua You | 伤科万花油 |
| TCMFx6457 | Xiao Zhi Ling Tablets | 消痔灵片 |
Showing 1 to 10 of 10 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 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
| TCMT128 | TNKS2 | Tankyrase-2 | Transferase | Q9H2K2 |
| TCMT129 | TNKS | Tankyrase-1 | Transferase | O95271 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
Showing 1 to 10 of 91 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1099 | Neuraminidase |
| TCMT1104 | Sortase |
| TCMT1108 | Integrase |
| TCMT1218 | Staphylococcus aureus |
| TCMT1226 | Klebsiella pneumoniae |
| TCMT1232 | Pseudomonas aeruginosa |
| TCMT1246 | Escherichia coli |
| TCMT1251 | Candida albicans |
| TCMT1346 | Helicobacter pylori |
Showing 1 to 10 of 18 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: TCMC961
Formula: C30H18O10
Ingredient ID: TCMC961
| Common Name | Cupressuflavone |
| IUPAC Name | 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O |
| Standard InCHI | InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H |
| Standard InCHIKey | LADPNODMUXOPRG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1208973]; PubChem [5281609]; |
| Reference of Component-Ingredient Pair | 22837955 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1103 | Osbeckia chinensis | Jin Jin Xiang | 金锦香 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1236 | Chimonanthus fragrans | La Mei Hua | 腊梅花 |
| TCMH1976 | Ganoderma applanatum | Shu She | 树舌 |
| TCMH223 | Platycladus orientalis | Ce Bai Tan | 侧柏炭 |
| TCMH2276 | Elsholtzia splendens | Xiang Ru | 香薷 |
| TCMH2651 | Elsholtzia splendens | Zhou Ye Xiang Ru | 皱叶香薷 |
| TCMH912 | Lagenaria siceraria | Hu Lu Ke | 葫芦壳 |
Showing 1 to 9 of 9 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: TCMC810
Formula: C31H20O10
Ingredient ID: TCMC810
| Common Name | Bilobetin |
| IUPAC Name | 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3 |
| Standard InCHIKey | IWEIJEPIYMAGTH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL378188]; PubChem [5315459]; |
| Reference of Component-Ingredient Pair | 10588517 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC717
Formula: C12H16O7
Ingredient ID: TCMC717
| Common Name | Arbutin |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 |
| Standard InCHIKey | BJRNKVDFDLYUGJ-RMPHRYRLSA-N |
| External Identifiers | ChEMBL [CHEMBL232202]; PubChem [440936]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1383 | Onobrychis viciifolia | Lv Dou | 绿豆 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
Showing 1 to 10 of 16 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: TCMC6886
Formula: C17H16O6
Ingredient ID: TCMC6886
| Common Name | Tamariscina Ester A |
| IUPAC Name | 4-[3-(3-hydroxyphenyl)propanoyloxy]-3-methoxybenzoic acid |
| Canonical SMILES | COc1cc(ccc1OC(=O)CCc1cccc(c1)O)C(=O)[O-] |
| Standard InCHI | InChI=1S/C17H16O6/c1-22-15-10-12(17(20)21)6-7-14(15)23-16(19)8-5-11-3-2-4-13(18)9-11/h2-4,6-7,9-10,18H,5,8H2,1H3,(H,20,21)/p-1 |
| Standard InCHIKey | LLGWMULZTIEEQK-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [71406631]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC680
Formula: C30H18O10
Ingredient ID: TCMC680
| Common Name | Amentoflavone |
| IUPAC Name | 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H |
| Standard InCHIKey | YUSWMAULDXZHPY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL63354]; PubChem [5281600]; |
| Reference of Component-Ingredient Pair | 22837955 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1649 | Toxicodendron succedaneum | Qi Shu Gen | 漆树根 |
| TCMH1950 | Herba selaginellae doederleinii | Shi Shang Bai | 石上柏 |
| TCMH223 | Platycladus orientalis | Ce Bai Tan | 侧柏炭 |
| TCMH224 | Thuja orientalis | Ce Bai Ye | 侧柏叶 |
| TCMH2267 | Periploca sepium | Xiang Jia Pi | 香加皮 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC650
Formula: C6H14O6
Ingredient ID: TCMC650
| Common Name | Alexitol Sodium |
| IUPAC Name | hexane-1,2,3,4,5,6-hexol |
| Canonical SMILES | OCC(C(C(C(CO)O)O)O)O |
| Standard InCHI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 |
| Standard InCHIKey | FBPFZTCFMRRESA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL16105]; PubChem [453]; |
| Reference of Component-Ingredient Pair | 22841888 |
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 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1226 | Laminaria japonica | Kun Bu | 昆布 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH1597 | Ligustrum lucidum | Nv Zhen Zi | 女贞子 |
| TCMH1615 | Eriobotrya japonica | Pi Ba Ren | 枇杷仁 |
| 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 24 entries
Ingredient ID: TCMC632
Formula: C10H13N5O4
Ingredient ID: TCMC632
| Common Name | Adenosine |
| IUPAC Name | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N |
| Standard InCHI | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 |
| Standard InCHIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N |
| External Identifiers | ChEMBL [CHEMBL477]; PubChem [60961]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1177 | Ilex cornuta | Ju Gu Ye | 枸骨叶 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Showing 1 to 10 of 96 entries
Ingredient ID: TCMC5511
Formula: C12H22O11
Ingredient ID: TCMC5511
| Common Name | Trehalose (Α:Β) |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12+/m1/s1 |
| Standard InCHIKey | HDTRYLNUVZCQOY-BTLHAWITSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10871590]; |
| Reference of Component-Ingredient Pair | 15519330 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5482
Formula: C12H22O11
Ingredient ID: TCMC5482
| Common Name | Trehalose (Β:Β) |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12+/m1/s1 |
| Standard InCHIKey | HDTRYLNUVZCQOY-NCFXGAEVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10783457]; |
| Reference of Component-Ingredient Pair | 15511231 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5019
Formula: C31H20O10
Ingredient ID: TCMC5019
| Common Name | Sotetsuflavone |
| IUPAC Name | 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1c1cc(ccc1O)c1cc(=O)c3c(o1)cc(cc3O)O)oc(cc2=O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C31H20O10/c1-39-26-13-23(38)30-22(37)12-24(14-2-5-16(32)6-3-14)41-31(30)28(26)18-8-15(4-7-19(18)34)25-11-21(36)29-20(35)9-17(33)10-27(29)40-25/h2-13,32-35,38H,1H3 |
| Standard InCHIKey | OIFVLHZEBAXHPM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL450522]; PubChem [5494868]; |
| Reference of Component-Ingredient Pair | 12880325 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4649
Formula: C31H20O10
Ingredient ID: TCMC4649
| Common Name | Isocryptomerin |
| IUPAC Name | 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc2oc(cc(=O)c2c(c1Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O)O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C31H20O10/c1-38-27-14-26-29(22(36)13-24(41-26)15-2-6-17(32)7-3-15)30(37)31(27)39-19-8-4-16(5-9-19)23-12-21(35)28-20(34)10-18(33)11-25(28)40-23/h2-14,32-34,37H,1H3 |
| Standard InCHIKey | PTKBMDRXKOIHCA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3589108]; PubChem [5318537]; |
| Reference of Component-Ingredient Pair | 22803371 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2927
Formula: C12H22O11
Ingredient ID: TCMC2927
| Common Name | Trehalose (Α:Α) |
| IUPAC Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 |
| Standard InCHIKey | HDTRYLNUVZCQOY-LIZSDCNHSA-N |
| External Identifiers | ChEMBL [CHEMBL1236395]; PubChem [7427]; |
| Reference of Component-Ingredient Pair | 29486218 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2222
Formula: C8H8O4
Ingredient ID: TCMC2222
| Common Name | Vanillic Acid |
| IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
| Canonical SMILES | COc1cc(ccc1O)C(=O)O |
| Standard InCHI | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
| Standard InCHIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL120568]; PubChem [8468]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Showing 1 to 10 of 168 entries
Ingredient ID: 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: TCMC2200
Formula: C9H11NO3
Ingredient ID: TCMC2200
| Common Name | Tyrosine |
| IUPAC Name | (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid |
| Canonical SMILES | OC(=O)[C@H](Cc1ccc(cc1)O)N |
| Standard InCHI | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 |
| Standard InCHIKey | OUYCCCASQSFEME-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [CHEMBL925]; PubChem [6057]; |
| 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 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| 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 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2121
Formula: C30H18O10
Ingredient ID: TCMC2121
| Common Name | Taiwaniaflavone |
| IUPAC Name | 3-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1c1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)O)O |
| Standard InCHI | InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)30-26(29(38)28-21(36)9-17(33)11-25(28)40-30)18-7-14(3-6-19(18)34)23-12-22(37)27-20(35)8-16(32)10-24(27)39-23/h1-12,31-36H |
| Standard InCHIKey | IMKDLTDRZZSWPR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL272861]; PubChem [44456685]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2119
Formula: C9H10O5
Ingredient ID: TCMC2119
| Common Name | Syringic Acid |
| IUPAC Name | 4-hydroxy-3,5-dimethoxybenzoic acid |
| Canonical SMILES | COc1cc(cc(c1O)OC)C(=O)O |
| Standard InCHI | InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) |
| Standard InCHIKey | JMSVCTWVEWCHDZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1414]; PubChem [10742]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Showing 1 to 10 of 78 entries
Ingredient ID: TCMC2058
Formula: C35H26O5
Ingredient ID: TCMC2058
| Common Name | Selaginellin M |
| IUPAC Name | 4-[[3-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethynyl]phenyl]-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-one |
| Canonical SMILES | COc1ccc(cc1)C(=C1C=CC(=O)C=C1)c1c(C#Cc2ccc(cc2)O)c(CO)ccc1c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C35H26O5/c1-40-31-18-9-26(10-19-31)34(25-7-16-30(39)17-8-25)35-32(24-5-14-29(38)15-6-24)21-11-27(22-36)33(35)20-4-23-2-12-28(37)13-3-23/h2-3,5-19,21,36-38H,22H2,1H3 |
| Standard InCHIKey | LPEPBNUNFHGLSZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3394770]; PubChem [71575995]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2057
Formula: C34H24O5
Ingredient ID: TCMC2057
| Common Name | Selaginellin |
| IUPAC Name | 4-[[3-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethynyl]phenyl]-(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one |
| Canonical SMILES | OCc1ccc(c(c1C#Cc1ccc(cc1)O)C(=C1C=CC(=O)C=C1)c1ccc(cc1)O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C34H24O5/c35-21-26-10-20-31(23-4-13-28(37)14-5-23)34(32(26)19-3-22-1-11-27(36)12-2-22)33(24-6-15-29(38)16-7-24)25-8-17-30(39)18-9-25/h1-2,4-18,20,35-38H,21H2 |
| Standard InCHIKey | SJSFYXIEVFIZJC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3394769]; PubChem [16664188]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2021
Formula: C30H18O10
Ingredient ID: TCMC2021
| Common Name | Robustaflavone |
| IUPAC Name | 6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)c1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)O)O |
| Standard InCHI | InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-35,38H |
| Standard InCHIKey | BORWSEZUWHQTOK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL63677]; PubChem [5281694]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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: TCMC1674
Formula: C35H28O7
Ingredient ID: TCMC1674
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COCc1ccc(c(c1C#Cc1ccc(cc1)O)C(c1ccc(cc1)O)(c1ccc(cc1)O)O)c1ccc(cc1O)O |
| Standard InCHI | InChI=1S/C35H28O7/c1-42-21-23-5-18-32(31-19-16-29(39)20-33(31)40)34(30(23)17-4-22-2-10-26(36)11-3-22)35(41,24-6-12-27(37)13-7-24)25-8-14-28(38)15-9-25/h2-3,5-16,18-20,36-41H,21H2,1H3 |
| Standard InCHIKey | VUZJHKHDRPDRJZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3394772]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1673
Formula: C34H26O7
Ingredient ID: TCMC1673
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OCc1ccc(c(c1C#Cc1ccc(cc1)O)C(c1ccc(cc1)O)(c1ccc(cc1)O)O)c1ccc(cc1O)O |
| Standard InCHI | InChI=1S/C34H26O7/c35-20-22-4-17-31(30-18-15-28(39)19-32(30)40)33(29(22)16-3-21-1-9-25(36)10-2-21)34(41,23-5-11-26(37)12-6-23)24-7-13-27(38)14-8-24/h1-2,4-15,17-19,35-41H,20H2 |
| Standard InCHIKey | LSGGNLNEYGRGJO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3394771]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1535
Formula: C6H14O6
Ingredient ID: TCMC1535
| Common Name | Mannitol |
| IUPAC Name | (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol |
| Canonical SMILES | OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| Standard InCHI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| Standard InCHIKey | FBPFZTCFMRRESA-KVTDHHQDSA-N |
| External Identifiers | ChEMBL [CHEMBL689]; PubChem [6251]; |
| Reference of Component-Ingredient Pair | 29968805 |
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 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1226 | Laminaria japonica | Kun Bu | 昆布 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1324
Formula: C30H18O10
Ingredient ID: TCMC1324
| Common Name | Hinokiflavone |
| IUPAC Name | 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O)O |
| Standard InCHI | InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H |
| Standard InCHIKey | WTDHMFBJQJSTMH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL291426]; PubChem [5281627]; |
| Reference of Component-Ingredient Pair | 10193201 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1649 | Toxicodendron succedaneum | Qi Shu Gen | 漆树根 |
| TCMH2188 | Trogopterus xanthipes | Wu Ling Zhi | 五灵脂 |
| TCMH2189 | Trogopterus xanthipes | Wu Ling Zhi Gao | 五灵脂膏 |
| TCMH2190 | Trogopterus xanthipes | Wu Ling Zhi Liu Jin Gao | 五灵脂流浸膏 |
| TCMH223 | Platycladus orientalis | Ce Bai Tan | 侧柏炭 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1298
Formula: C10H13N5O5
Ingredient ID: TCMC1298
| Common Name | Guanosine |
| IUPAC Name | 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=N)nc2O |
| Standard InCHI | InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 |
| Standard InCHIKey | NYHBQMYGNKIUIF-UUOKFMHZSA-N |
| External Identifiers | ChEMBL [CHEMBL375655]; PubChem [6802]; |
| 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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| 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 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
Showing 1 to 10 of 56 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
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
| TCMC1298 | C10H13N5O5 | Guanosine | 283.09 | -2.2152 | 1.46 | -1.643 | 10 | 6 | 156.21 | 6 | 3 | 20 | 1 |
| TCMC1324 | C30H18O10 | Hinokiflavone | 538.09 | -3.4628 | 3.66 | 3.189 | 2 | 5 | 162.98 | 9 | 6 | 40 | 0 |
| TCMC1535 | C6H14O6 | Mannitol | 182.08 | -2.9402 | 1.46 | -3.896 | 6 | 6 | 121.38 | 11 | 0 | 12 | 1 |
| TCMC1673 | C34H26O7 | 546.17 | -2.905 | 4.43 | 5.532 | 2 | 7 | 141.61 | 12 | 5 | 41 | 2 | |
| TCMC1674 | C35H28O7 | 560.18 | -2.4965 | 4.54 | 6.051 | 2 | 6 | 130.61 | 13 | 5 | 42 | 2 | |
| TCMC182 | C9H8O4 | (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid | 180.04 | -0.7993 | 2.01 | 1.141 | 2 | 3 | 77.76 | 5 | 1 | 13 | 0 |
| TCMC2021 | C30H18O10 | Robustaflavone | 538.09 | -3.769 | 3.66 | 2.302 | 2 | 6 | 173.98 | 9 | 6 | 40 | 1 |
| TCMC2057 | C34H24O5 | Selaginellin | 512.16 | -0.7042 | 4.65 | 7.348 | 2 | 4 | 97.99 | 8 | 5 | 39 | 1 |
| TCMC2058 | C35H26O5 | Selaginellin M | 526.18 | -0.2957 | 4.76 | 7.867 | 2 | 3 | 86.99 | 9 | 5 | 40 | 1 |
Showing 1 to 10 of 30 entries
Download Data
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