Description of the Component
Component ID |
TCMH562 |
Latin Name |
Saposhnikovia divaricata |
English Name |
Divaricate saposhnikovia |
Chinese Pinyin Name |
Fang Feng |
中文名 |
防风 |
TCM Properties |
Minor Warm,Pungent,Sweet |
TCM Meridians |
Bladder,Spleen,Liver |
Therapeutic Class English |
For relieving exterior syndrome |
Therapeutic Class Chinese |
解表 |
Functions |
induce diaphoresis, dispel wind, alleviate rheumatic conditions, and relieve spasm |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Heilongjiang Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAE3225-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1145 | Shu Feng Huo Luo Pills | 疏风活络丸 |
| TCMF1147 | Huai Jiao Pills | 槐角丸 |
| TCMF1153 | Gan Mao Shu Granules | 感冒舒颗粒 |
| TCMF127 | Xiong Ju Shang Qing Pills | 芎菊上清丸 |
| TCMF128 | Xiong Ju Shang Qing Tablets | 芎菊上清片 |
| TCMF1320 | Pill for Purging Liver Fire; Fire Cathartic Pill | 泻青丸 |
| TCMF1327 | Chuanxiong Chatiao Pills | 川芎茶调丸 |
| TCMF1338 | Powder of Ligutici Chuanxiong Mixed with Camelliae Sinensis | 川芎茶调散 |
| TCMF1341 | Jiuwei Oianghuo Granules | 九味羌活颗粒 |
| TCMF1342 | Jiuwei Qianghuo Pills | 九味羌活丸 |
Showing 1 to 10 of 558 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 |
| 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 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
| TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
| TCMT136 | CA12 | Carbonic anhydrase XII | Lyase | O43570 |
Showing 1 to 10 of 54 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1104 | Sortase |
| TCMT1112 | Quinolone resistance protein norA |
| TCMT1218 | Staphylococcus aureus |
| TCMT1232 | Pseudomonas aeruginosa |
| TCMT1246 | Escherichia coli |
| TCMT1251 | Candida albicans |
| TCMT1349 | Helicobacter pylori SS1 |
| TCMT1438 | Plasmodium falciparum |
| TCMT1454 | Bacillus subtilis |
| TCMT1455 | Mycobacterium tuberculosis H37Rv |
Showing 1 to 10 of 13 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: TCMC906
Formula: C9H6O2
Ingredient ID: TCMC906
| Common Name | Chromone |
| IUPAC Name | chromen-4-one |
| Canonical SMILES | O=c1ccoc2c1cccc2 |
| Standard InCHI | InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H |
| Standard InCHIKey | OTAFHZMPRISVEM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL13311]; PubChem [10286]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1530 | Radix polygoni aubertii | Mu Teng Liao | 木藤蓼 |
| TCMH2088 | Radix semiaquilegiae | Tian Kui Zi | 天葵子 |
| TCMH2341 | Natrii sulfas | Xuan Ming | 玄明 |
| TCMH2342 | Natrii sulfas exsiccatus | Xuan Ming Fen | 玄明粉 |
| TCMH2704 | Herba gynurae bicoloris | Zi Bei Tian Kui | 紫背天葵 |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
| TCMH667 | Radix ilicis asprellae | Gang Mei | 岗梅 |
| TCMH670 | Ligusticum sinense | Gao Ben | 藁本 |
Showing 1 to 8 of 8 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: TCMC787
Formula: C12H8O4
Ingredient ID: TCMC787
| Common Name | Bergapten |
| IUPAC Name | 4-methoxyfuro[3,2-g]chromen-7-one |
| Canonical SMILES | COc1c2ccc(=O)oc2cc2c1cco2 |
| Standard InCHI | InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 |
| Standard InCHIKey | BGEBZHIAGXMEMV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL24171]; PubChem [2355]; |
| Reference of Component-Ingredient Pair | 22407843 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH118 | Angelica dahurica | Bai Zhi | 白芷 |
| TCMH119 | Angelica dahurica | Bai Zhi Jin Gao Fen | 白芷浸膏粉 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC7012
Formula: C17H24O2
Ingredient ID: TCMC7012
| Common Name | 1,8-Heptadecadiene-4,6-Diyne-3,10-Diol |
| IUPAC Name | (3R,8E,10S)-heptadeca-1,8-dien-4,6-diyne-3,10-diol |
| Canonical SMILES | CCCCCCC[C@@H](/C=C/C#CC#C[C@@H](C=C)O)O |
| Standard InCHI | InChI=1S/C17H24O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12+/t16-,17+/m1/s1 |
| Standard InCHIKey | DSVMWGREWREVQQ-ODQHEUEKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [95790147]; |
| Reference of Component-Ingredient Pair | 15796588 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6952
Formula: C8H16O
Ingredient ID: TCMC6952
| Common Name | 7-Octen-4-Ol |
| IUPAC Name | (4S)-oct-7-en-4-ol |
| Canonical SMILES | CCC[C@@H](CCC=C)O |
| Standard InCHI | InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3,8-9H,1,4-7H2,2H3/t8-/m0/s1 |
| Standard InCHIKey | MJWKMORBWQZWOT-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [89693653]; |
| Reference of Component-Ingredient Pair | US2013184313 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6527
Formula: C22H28O10
Ingredient ID: TCMC6527
| Common Name | 4'-O-Β-Glucopyranosyl-5-O-Methylvisamminol |
| IUPAC Name | (2S)-4-methoxy-7-methyl-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-5-one |
| Canonical SMILES | OC[C@H]1O[C@@H](OC([C@H]2Oc3c(C2)c(OC)c2c(c3)oc(cc2=O)C)(C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C22H28O10/c1-9-5-11(24)16-13(29-9)7-12-10(20(16)28-4)6-15(30-12)22(2,3)32-21-19(27)18(26)17(25)14(8-23)31-21/h5,7,14-15,17-19,21,23,25-27H,6,8H2,1-4H3/t14-,15+,17-,18+,19-,21+/m1/s1 |
| Standard InCHIKey | QVGFPTYGKPLXPK-OOBAEQHESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21670038]; |
| Reference of Component-Ingredient Pair | 29386422 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC65
Formula: C14H14O4
Ingredient ID: TCMC65
| Common Name | (2R)-2-(2-Hydroxypropan-2-Yl)-2,3-Dihydrofuro[3,2-G]Chromen-7-One |
| IUPAC Name | (2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one |
| Canonical SMILES | O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C |
| Standard InCHI | InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1 |
| Standard InCHIKey | FWYSBEAFFPBAQU-GFCCVEGCSA-N |
| External Identifiers | ChEMBL [CHEMBL1464240]; PubChem [26305]; |
| Reference of Component-Ingredient Pair | 27878269 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH279 | Angelica pubescens | Chuan Du Huo | 川独活 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
| TCMH517 | Angelica pubescens | Du Huo | 独活 |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
Showing 1 to 8 of 8 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: TCMC554
Formula: C6H9NS
Ingredient ID: TCMC554
| Common Name | 5-Isothiocyanatopent-1-Ene |
| IUPAC Name | 5-isothiocyanatopent-1-ene |
| Canonical SMILES | C=CCCCN=C=S |
| Standard InCHI | InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2 |
| Standard InCHIKey | DBISBKDNOKIADM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3593943]; PubChem [87436]; |
| Reference of Component-Ingredient Pair | 21535549 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5460
Formula: C19H20O6
Ingredient ID: TCMC5460
| Common Name | (3'S)-Hydroxydeltoin |
| IUPAC Name | 2-[(2S,3S)-3-hydroxy-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl (Z)-2-methylbut-2-enoate |
| Canonical SMILES | C/C=C(C(=O)OC([C@H]1Oc2c([C@@H]1O)cc1c(c2)oc(=O)cc1)(C)C)/C |
| Standard InCHI | InChI=1S/C19H20O6/c1-5-10(2)18(22)25-19(3,4)17-16(21)12-8-11-6-7-15(20)23-13(11)9-14(12)24-17/h5-9,16-17,21H,1-4H3/b10-5-/t16-,17-/m0/s1 |
| Standard InCHIKey | PEDOEUCMWWTISD-LNUYWUECSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10665122]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5325
Formula: C15H24
Ingredient ID: TCMC5325
| Common Name | (S)-1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohex-1-Ene,Β-Bisabolene |
| IUPAC Name | (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene |
| Canonical SMILES | CC(=CCCC(=C)[C@H]1CCC(=CC1)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1 |
| Standard InCHIKey | XZRVRYFILCSYSP-OAHLLOKOSA-N |
| External Identifiers | ChEMBL [CHEMBL1077088]; PubChem [10104370]; |
| Reference of Component-Ingredient Pair | 15075399 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH33 | Illicium verum | Ba Jiao Hui Xiang | 八角茴香 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH517 | Angelica pubescens | Du Huo | 独活 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC5270
Formula: C17H18O7
Ingredient ID: TCMC5270
| Common Name | Divaricatol |
| IUPAC Name | [(3S)-5-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate |
| Canonical SMILES | OCc1cc(=O)c2c(o1)cc1c(c2O)C[C@@H](C(O1)(C)C)OC(=O)C |
| Standard InCHI | InChI=1S/C17H18O7/c1-8(19)22-14-5-10-12(24-17(14,2)3)6-13-15(16(10)21)11(20)4-9(7-18)23-13/h4,6,14,18,21H,5,7H2,1-3H3/t14-/m0/s1 |
| Standard InCHIKey | DJEFKGJBMQEDCR-AWEZNQCLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [9974111]; |
| Reference of Component-Ingredient Pair | 22532346 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4689
Formula: C20H22O7
Ingredient ID: TCMC4689
| Common Name | Ledebouriellol |
| IUPAC Name | [(3S)-5-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] (Z)-2-methylbut-2-enoate |
| Canonical SMILES | C/C=C(C(=O)O[C@H]1Cc2c(OC1(C)C)cc1c(c2O)c(=O)cc(o1)CO)/C |
| Standard InCHI | InChI=1S/C20H22O7/c1-5-10(2)19(24)26-16-7-12-14(27-20(16,3)4)8-15-17(18(12)23)13(22)6-11(9-21)25-15/h5-6,8,16,21,23H,7,9H2,1-4H3/b10-5-/t16-/m0/s1 |
| Standard InCHIKey | KKDRQZCQNSHBHY-AVFOEOQDSA-N |
| External Identifiers | ChEMBL [CHEMBL2059291]; PubChem [5318962]; |
| Reference of Component-Ingredient Pair | 26833192 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4466
Formula: C17H18O6
Ingredient ID: TCMC4466
| Common Name | 3'-O-Acetylhamaudol |
| IUPAC Name | [(3S)-5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate |
| Canonical SMILES | CC(=O)O[C@H]1Cc2c(OC1(C)C)cc1c(c2O)c(=O)cc(o1)C |
| Standard InCHI | InChI=1S/C17H18O6/c1-8-5-11(19)15-13(21-8)7-12-10(16(15)20)6-14(22-9(2)18)17(3,4)23-12/h5,7,14,20H,6H2,1-4H3/t14-/m0/s1 |
| Standard InCHIKey | ZHMBJOBSCRAOAO-AWEZNQCLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5315865]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4158
Formula: C19H20O5
Ingredient ID: TCMC4158
| Common Name | Deltoin |
| IUPAC Name | 2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl (Z)-2-methylbut-2-enoate |
| Canonical SMILES | C/C=C(C(=O)OC([C@H]1Oc2c(C1)cc1c(c2)oc(=O)cc1)(C)C)/C |
| Standard InCHI | InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)16-9-13-8-12-6-7-17(20)23-14(12)10-15(13)22-16/h5-8,10,16H,9H2,1-4H3/b11-5-/t16-/m0/s1 |
| Standard InCHIKey | HHNCJFKRMZDTHW-XKGFZTIGSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [906526]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3966
Formula: C29H50O
Ingredient ID: TCMC3966
| Common Name | Sitosterol,Β-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-FBZNIEFRSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [457801]; |
| Reference of Component-Ingredient Pair | 23115546 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
Showing 1 to 10 of 71 entries
Ingredient ID: TCMC3867
Formula: C16H18O5
Ingredient ID: TCMC3867
| Common Name | 5-O-Methylvisamminol |
| IUPAC Name | (2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one |
| Canonical SMILES | COc1c2C[C@H](Oc2cc2c1c(=O)cc(o2)C)C(O)(C)C |
| Standard InCHI | InChI=1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1 |
| Standard InCHIKey | DGFLRNOCLJGHLY-ZDUSSCGKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [441970]; |
| Reference of Component-Ingredient Pair | 26919331 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3825
Formula: C10H16
Ingredient ID: TCMC3825
| Common Name | Α-Pinene |
| IUPAC Name | (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene |
| Canonical SMILES | CC1=CC[C@H]2C[C@@H]1C2(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1 |
| Standard InCHIKey | GRWFGVWFFZKLTI-IUCAKERBSA-N |
| External Identifiers | ChEMBL [CHEMBL3109297]; PubChem [440968]; |
| Reference of Component-Ingredient Pair | 19067113 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH1617 | Eriobotrya japonica thunb | Pi Pa Ye | 枇杷叶 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1695 | Pericarpium citri reticulatae viride | Qing Pi | 青皮 |
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
| TCMH188 | Mentha haplocalyx | Bo He | 薄荷 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC3621
Formula: C15H16O5
Ingredient ID: TCMC3621
| Common Name | 3'(S)-Hamaudol |
| IUPAC Name | (3S)-3,5-dihydroxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one |
| Canonical SMILES | Cc1cc(=O)c2c(o1)cc1c(c2O)C[C@@H](C(O1)(C)C)O |
| Standard InCHI | InChI=1S/C15H16O5/c1-7-4-9(16)13-11(19-7)6-10-8(14(13)18)5-12(17)15(2,3)20-10/h4,6,12,17-18H,5H2,1-3H3/t12-/m0/s1 |
| Standard InCHIKey | VOTLUFSYIRHICX-LBPRGKRZSA-N |
| External Identifiers | ChEMBL [CHEMBL2059288]; PubChem [164722]; |
| Reference of Component-Ingredient Pair | 26833192 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC344
Formula: C19H20O5
Ingredient ID: TCMC344
| Common Name | 2-[(2S)-7-Oxo-2,3-Dihydrofuro[3,2-G]Chromen-2-Yl]Propan-2-Yl (E)-2-Methylbut-2-Enoate |
| IUPAC Name | 2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl (E)-2-methylbut-2-enoate |
| Canonical SMILES | C/C=C(/C(=O)OC([C@H]1Oc2c(C1)cc1c(c2)oc(=O)cc1)(C)C)C |
| Standard InCHI | InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)16-9-13-8-12-6-7-17(20)23-14(12)10-15(13)22-16/h5-8,10,16H,9H2,1-4H3/b11-5+/t16-/m0/s1 |
| Standard InCHIKey | HHNCJFKRMZDTHW-WQRDJFRPSA-N |
| External Identifiers | ChEMBL [CHEMBL1443379]; PubChem [906525]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3310
Formula: C15H26O
Ingredient ID: TCMC3310
| Common Name | Beta-Eudesmol |
| IUPAC Name | 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol |
| Canonical SMILES | C=C1CCC[C@]2([C@H]1C[C@@H](CC2)C(O)(C)C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1 |
| Standard InCHIKey | BOPIMTNSYWYZOC-VNHYZAJKSA-N |
| External Identifiers | ChEMBL [CHEMBL88244]; PubChem [91457]; |
| Reference of Component-Ingredient Pair | 25833731 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
| TCMH658 | Nardostachys chinensis | Gan Song | 甘松 |
| TCMH890 | Cortex magnoliae officinalis | Hou Pu | 厚朴 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3299
Formula: C15H22
Ingredient ID: TCMC3299
| Common Name | Cuparene |
| IUPAC Name | 1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene |
| Canonical SMILES | Cc1ccc(cc1)[C@]1(C)CCCC1(C)C |
| Standard InCHI | InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m0/s1 |
| Standard InCHIKey | SLKPBCXNFNIJSV-HNNXBMFYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [86895]; |
| Reference of Component-Ingredient Pair | 22555293 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3032
Formula: C24H48O2
Ingredient ID: TCMC3032
| Common Name | Lignoceric Acid |
| IUPAC Name | tetracosanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)/p-1 |
| Standard InCHIKey | QZZGJDVWLFXDLK-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1173620]; PubChem [11197]; |
| Reference of Component-Ingredient Pair | 22124468 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH193 | Psoralea corylifolia | Bu Gu Zhi | 补骨脂 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
| TCMH387 | Callicarpa macrophylla | Da Ye Zi Zhu | 大叶紫珠 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2970
Formula: C5H10O
Ingredient ID: TCMC2970
| Common Name | 2-Methylbut-3-En-2-Ol |
| IUPAC Name | 2-methylbut-3-en-2-ol |
| Canonical SMILES | C=CC(O)(C)C |
| Standard InCHI | InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3 |
| Standard InCHIKey | HNVRRHSXBLFLIG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [8257]; |
| Reference of Component-Ingredient Pair | 22849837 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2890
Formula: C6H12O
Ingredient ID: TCMC2890
| Common Name | Butylethylene Ether,Hexanal |
| IUPAC Name | hexanal |
| Canonical SMILES | CCCCCC=O |
| Standard InCHI | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 |
| Standard InCHIKey | JARKCYVAAOWBJS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL280331]; PubChem [6184]; |
| Reference of Component-Ingredient Pair | 28947239 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC289
Formula: C5H12O
Ingredient ID: TCMC289
| Common Name | 1-Pentanol |
| IUPAC Name | pentan-1-ol |
| Canonical SMILES | CCCCCO |
| Standard InCHI | InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3 |
| Standard InCHIKey | AMQJEAYHLZJPGS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14568]; PubChem [6276]; |
| Reference of Component-Ingredient Pair | 23080400 |
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 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
Showing 1 to 10 of 20 entries
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: TCMC2843
Formula: C8H16O
Ingredient ID: TCMC2843
| Common Name | Octanal |
| IUPAC Name | octanal |
| Canonical SMILES | CCCCCCCC=O |
| Standard InCHI | InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3 |
| Standard InCHIKey | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL18407]; PubChem [454]; |
| Reference of Component-Ingredient Pair | 25014914 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC274
Formula: C6H14O
Ingredient ID: TCMC274
| Common Name | 1-Hexanol |
| IUPAC Name | hexan-1-ol |
| Canonical SMILES | CCCCCCO |
| Standard InCHI | InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
| Standard InCHIKey | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14085]; PubChem [8103]; |
| Reference of Component-Ingredient Pair | 22970999 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC2482
Formula: C17H24O
Ingredient ID: TCMC2482
| Common Name | Falcarinol |
| IUPAC Name | (3S,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol |
| Canonical SMILES | CCCCCCC/C=CCC#CC#C[C@H](C=C)O |
| Standard InCHI | InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m0/s1 |
| Standard InCHIKey | UGJAEDFOKNAMQD-MQNTZWLQSA-N |
| External Identifiers | ChEMBL [CHEMBL368712]; PubChem [5469789]; |
| Reference of Component-Ingredient Pair | 22121807 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC2381
Formula: C8H10O
Ingredient ID: TCMC2381
| Common Name | Phenylethyl Alcohol |
| IUPAC Name | 2-phenylethanol |
| Canonical SMILES | OCCc1ccccc1 |
| Standard InCHI | InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| Standard InCHIKey | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL448500]; PubChem [6054]; |
| Reference of Component-Ingredient Pair | 22980851 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
Showing 1 to 10 of 61 entries
Ingredient ID: TCMC2237
Formula: C16H12O5
Ingredient ID: TCMC2237
| Common Name | Wogonin |
| IUPAC Name | 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one |
| Canonical SMILES | COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3 |
| Standard InCHIKey | XLTFNNCXVBYBSX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL16171]; PubChem [5281703]; |
| Reference of Component-Ingredient Pair | 22885972 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
| TCMH2077 | Prunus persica | Tao Zhi | 桃枝 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC220
Formula: C24H26O7
Ingredient ID: TCMC220
| Common Name | [8,8-Dimethyl-9-[(Z)-2-Methylbut-2-Enoyl]Oxy-2-Oxo-9,10-Dihydropyrano[2,3-F]Chromen-10-Yl] (Z)-2-Methylbut-2-Enoate |
| IUPAC Name | [8,8-dimethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate |
| Canonical SMILES | C/C=C(C(=O)OC1c2c(ccc3c2oc(=O)cc3)OC(C1OC(=O)/C(=CC)/C)(C)C)/C |
| Standard InCHI | InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-18-16(11-9-15-10-12-17(25)28-19(15)18)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8- |
| Standard InCHIKey | PNTWXEIQXBRCPS-PVRNWPCDSA-N |
| External Identifiers | ChEMBL [CHEMBL1468714]; PubChem [6450453]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC215
Formula: C24H26O7
Ingredient ID: TCMC215
| Common Name | [(9R,10R)-8,8-Dimethyl-9-[(Z)-2-Methylbut-2-Enoyl]Oxy-2-Oxo-9,10-Dihydropyrano[2,3-F]Chromen-10-Yl] (Z)-2-Methylbut-2-Enoate |
| IUPAC Name | [(9R,10R)-8,8-dimethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate |
| Canonical SMILES | C/C=C(C(=O)O[C@@H]1c2c(ccc3c2oc(=O)cc3)OC([C@@H]1OC(=O)/C(=CC)/C)(C)C)/C |
| Standard InCHI | InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-18-16(11-9-15-10-12-17(25)28-19(15)18)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-/t20-,21-/m1/s1 |
| Standard InCHIKey | PNTWXEIQXBRCPS-IOWUNYDSSA-N |
| External Identifiers | ChEMBL [CHEMBL1610853]; PubChem [10251869]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2138
Formula: C16H12O4
Ingredient ID: TCMC2138
| Common Name | Techtochrysin |
| IUPAC Name | 5-hydroxy-7-methoxy-2-phenylchromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1 |
| Standard InCHI | InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3 |
| Standard InCHIKey | IRZVHDLBAYNPCT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL164841]; PubChem [5281954]; |
| Reference of Component-Ingredient Pair | 21416454 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH1823 | Alpinia zerumbet | Shan Jiang | 山姜 |
| TCMH2148 | Cuscuta australis | Tu Si Rou | 菟丝肉 |
| TCMH2149 | Cuscuta australis | Tu Si Zi | 菟丝子 |
| TCMH2150 | Cuscuta australis | Tu Si Zi Teng | 菟丝子藤 |
| TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
| TCMH2491 | Alpinia oxyphylla | Yi Zhi Ren | 益智仁 |
Showing 1 to 10 of 21 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: TCMC1961
Formula: C11H6O3
Ingredient ID: TCMC1961
| Common Name | Psoralen |
| IUPAC Name | furo[3,2-g]chromen-7-one |
| Canonical SMILES | O=c1ccc2c(o1)cc1c(c2)cco1 |
| Standard InCHI | InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H |
| Standard InCHIKey | ZCCUUQDIBDJBTK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL164660]; PubChem [6199]; |
| Reference of Component-Ingredient Pair | 22407843 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1628 | Fructus psoraleae corylifoliae | Po Gu Zhi | 破故纸 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH1806 | Radix glehniae | Sha Shen | 沙参 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
| TCMH193 | Psoralea corylifolia | Bu Gu Zhi | 补骨脂 |
| TCMH2069 | Aconitum tanguticum | Tang Gu Te Wu Tou | 唐古特乌头 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC1866
Formula: C17H16O5
Ingredient ID: TCMC1866
| Common Name | Phellopterin |
| IUPAC Name | 4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | COc1c2ccoc2c(c2c1ccc(=O)o2)OCC=C(C)C |
| Standard InCHI | InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3 |
| Standard InCHIKey | BMLZFLQMBMYVHG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL452751]; PubChem [98608]; |
| Reference of Component-Ingredient Pair | 29766316 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH118 | Angelica dahurica | Bai Zhi | 白芷 |
| TCMH119 | Angelica dahurica | Bai Zhi Jin Gao Fen | 白芷浸膏粉 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH2174 | Angelica dahurica | Wu Bai Zhi | 吴白芷 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1858
Formula: C16H14O4
Ingredient ID: TCMC1858
| Common Name | Pentosalen |
| IUPAC Name | 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C |
| Standard InCHI | InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3 |
| Standard InCHIKey | OLOOJGVNMBJLLR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL453805]; PubChem [10212]; |
| Reference of Component-Ingredient Pair | 23019888 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC1854
Formula: C5H10O
Ingredient ID: TCMC1854
| Common Name | Pentanal |
| IUPAC Name | pentanal |
| Canonical SMILES | CCCCC=O |
| Standard InCHI | InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 |
| Standard InCHIKey | HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL18602]; PubChem [8063]; |
| Reference of Component-Ingredient Pair | 25014914 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
| TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
| TCMH1774 | Panax notoginseng | San Qi Jing Ye | 三七茎叶 |
| TCMH1776 | Panax notoginseng | San Qi Ye | 三七叶 |
| TCMH1777 | Panax notoginseng | San Qi Ye Jing | 三七叶茎 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC1750
Formula: C20H24O9
Ingredient ID: TCMC1750
| Common Name | Nodakenin |
| IUPAC Name | (2R)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one |
| Canonical SMILES | OC[C@H]1O[C@@H](OC([C@@H]2Oc3c(C2)cc2c(c3)oc(=O)cc2)(C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3/t13-,14-,16-,17+,18-,19+/m1/s1 |
| Standard InCHIKey | HXCGUCZXPFBNRD-DNLMCPORSA-N |
| External Identifiers | ChEMBL [CHEMBL459825]; PubChem [73191]; |
| Reference of Component-Ingredient Pair | 28407357 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH422 | Angelica sinensis | Dang Gui Gan Jin Gao | 当归干浸膏 |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC1551
Formula: C12H8O4
Ingredient ID: TCMC1551
| Common Name | Methoxsalen |
| IUPAC Name | 9-methoxyfuro[3,2-g]chromen-7-one |
| Canonical SMILES | COc1c2oc(=O)ccc2cc2c1occ2 |
| Standard InCHI | InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3 |
| Standard InCHIKey | QXKHYNVANLEOEG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL416]; PubChem [4114]; |
| Reference of Component-Ingredient Pair | 25455453 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1542 | Radix adenophorae | Nan Sha Shen | 南沙参 |
| TCMH1628 | Fructus psoraleae corylifoliae | Po Gu Zhi | 破故纸 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
| TCMH193 | Psoralea corylifolia | Bu Gu Zhi | 补骨脂 |
Showing 1 to 10 of 20 entries
Ingredient ID: TCMC1404
Formula: C13H10O5
Ingredient ID: TCMC1404
| Common Name | Isopimpinellin |
| IUPAC Name | 4,9-dimethoxyfuro[3,2-g]chromen-7-one |
| Canonical SMILES | COc1c2ccc(=O)oc2c(c2c1cco2)OC |
| Standard InCHI | InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3 |
| Standard InCHIKey | DFMAXQKDIGCMTL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL140796]; PubChem [68079]; |
| Reference of Component-Ingredient Pair | 22407843 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1245 | Stellera chamaejasme | Lang Du | 狼毒 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC1395
Formula: C16H14O4
Ingredient ID: TCMC1395
| Common Name | Isoimperatorin |
| IUPAC Name | 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | CC(=CCOc1c2ccoc2cc2c1ccc(=O)o2)C |
| Standard InCHI | InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3 |
| Standard InCHIKey | IGWDEVSBEKYORK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL448060]; PubChem [68081]; |
| Reference of Component-Ingredient Pair | 20082250 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
| TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC1382
Formula: C12H8O4
Ingredient ID: TCMC1382
| Common Name | Isobergaptene |
| IUPAC Name | 5-methoxyfuro[2,3-h]chromen-2-one |
| Canonical SMILES | COc1cc2occc2c2c1ccc(=O)o2 |
| Standard InCHI | InChI=1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3 |
| Standard InCHIKey | AJSPSRWWZBBIOR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL141690]; PubChem [68082]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1245 | Stellera chamaejasme | Lang Du | 狼毒 |
| TCMH279 | Angelica pubescens | Chuan Du Huo | 川独活 |
| TCMH403 | Zanthoxylum echinocarpum | Dan Mian Zhen | 单面针 |
| TCMH517 | Angelica pubescens | Du Huo | 独活 |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
| TCMH74 | Patrinia villosa | Bai Jiang | 败酱 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC1189
Formula: C11H10O5
Ingredient ID: TCMC1189
| Common Name | Fraxidin |
| IUPAC Name | 8-hydroxy-6,7-dimethoxychromen-2-one |
| Canonical SMILES | COc1c(OC)cc2c(c1O)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3 |
| Standard InCHIKey | QNFBKOHHLAWWTC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2334351]; PubChem [3083616]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH133 | Aconitum naviculare | Bang Ga | 榜嘎 |
| TCMH221 | Sarcandra glabra | Cao Shan Hu Jin Gao | 草珊瑚浸膏 |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
| TCMH970 | Vitex negundo | Huang Jing Zi | 黄荆子 |
Showing 1 to 7 of 7 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1189 | C11H10O5 | Fraxidin | 222.05 | -0.2939 | 2.12 | 0.644 | 1 | 1 | 64.99 | 5 | 2 | 16 | 0 |
| TCMC1382 | C12H8O4 | Isobergaptene | 216.04 | 0.0641 | 2.34 | 1.69 | 1 | 0 | 48.67 | 2 | 3 | 16 | 0 |
| TCMC1395 | C16H14O4 | Isoimperatorin | 270.09 | 1.5296 | 2.78 | 2.891 | 1 | 0 | 48.67 | 5 | 3 | 20 | 0 |
| TCMC1404 | C13H10O5 | Isopimpinellin | 246.05 | 0.0123 | 2.34 | 1.246 | 1 | 0 | 57.9 | 4 | 3 | 18 | 0 |
| TCMC1551 | C12H8O4 | Methoxsalen | 216.04 | 0.0641 | 2.34 | 1.69 | 1 | 0 | 48.67 | 2 | 3 | 16 | 0 |
| TCMC1750 | C20H24O9 | Nodakenin | 408.14 | -1.4852 | 2.67 | 0.985 | 7 | 4 | 134.91 | 10 | 4 | 29 | 0 |
| TCMC1854 | C5H10O | Pentanal | 86.07 | -0.6823 | 1.9 | 1.725 | 1 | 0 | 17.07 | 4 | 0 | 6 | 0 |
| TCMC1858 | C16H14O4 | Pentosalen | 270.09 | 1.5296 | 2.78 | 2.891 | 1 | 0 | 48.67 | 5 | 3 | 20 | 0 |
| TCMC1866 | C17H16O5 | Phellopterin | 300.1 | 1.4778 | 2.78 | 2.447 | 1 | 0 | 57.9 | 7 | 3 | 22 | 0 |
| TCMC1961 | C11H6O3 | Psoralen | 186.03 | 0.1159 | 2.34 | 2.134 | 1 | 0 | 39.44 | 0 | 3 | 14 | 0 |
Showing 1 to 10 of 47 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
