Description of the Component
Component ID |
TCMH2378 |
Latin Name |
Daphne genkwa |
English Name |
Lilac daphne |
Chinese Pinyin Name |
Yuan Hua |
中文名 |
芫花 |
TCM Properties |
Warm,Pungent,Bitter |
TCM Meridians |
Lung,Large Intestine,Kidney |
Therapeutic Class English |
Purging |
Therapeutic Class Chinese |
泻下 |
Functions |
transform water and stop cough, resolve phlegm and stop cough, kill worms |
Toxicity |
Toxic |
Geo-authentic habitats (道地产区) |
Anhui Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
|
Barcode Source |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1670 | Ten Jujube Decoction | 十枣汤 |
| TCMF2247 | Vessel and Vehicle Pill | 舟车丸 |
| TCMF2252 | Zhouju Pill | |
| TCMF5075 | Shi Zao Pills | 十枣丸 |
| TCMF5332 | Wan Ling Jin Gu Ointment | 万灵筋骨膏 |
| TCMFx2506 | Worm Pill | 囊虫丸 |
| TCMFx3743 | Du Ji Du Jiao Ointment | 杜记独角膏 |
| TCMFx4672 | Nang Chong Pills | 囊虫丸 |
| TCMFx490 | Qing Yu Pi Wen Dan | 庆余辟瘟丹 |
| TCMFx5006 | Qing Yu Bi Wen Dan | 庆余辟瘟丹 |
Showing 1 to 10 of 14 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 |
| 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 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
Showing 1 to 10 of 84 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1092 | Fatty acid synthase |
| TCMT1093 | Enoyl-acyl-carrier protein reductase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1099 | Neuraminidase |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
| TCMT1178 | Actinomyces viscosus |
| TCMT1189 | Pseudomonas fluorescens |
| TCMT1212 | Verticillium dahliae |
Showing 1 to 10 of 31 entries
Ingredient Structrues
Ingredient ID: TCMC993
Formula: C19H12O7
Ingredient ID: TCMC993
| Common Name | Daphnoretin |
| IUPAC Name | 7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxychromen-2-one |
| Canonical SMILES | COc1cc2cc(Oc3ccc4c(c3)oc(=O)cc4)c(=O)oc2cc1O |
| Standard InCHI | InChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3 |
| Standard InCHIKey | JRHMMVBOTXEHGJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL508494]; PubChem [5281406]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1283 | Wikstroemia indica | Liao Ge Wang | 了哥王 |
| TCMH1496 | Rhizoma dryopteris crassirhizomae | Mian Ma Guan Zhong | 绵马贯众 |
| TCMH2263 | Isodon amethystoides | Xiang Cha Cai | 香茶菜 |
| TCMH2378 | Daphne genkwa | Yuan Hua | 芫花 |
| TCMH2379 | Daphne genkwa | Yuan Hua Gen | 芫花根 |
| TCMH2380 | Daphne genkwa | Yuan Hua Tiao | 芫花条 |
| TCMH2381 | Daphne genkwa | Yuan Hua Zhi Tiao | 芫花枝条 |
| TCMH255 | Vigna angularis | Chi Dou | 赤豆 |
| TCMH344 | Daphne genkwa | Cu Yuan Hua | 醋芫花 |
| TCMH845 | Auricularia auricula-judae | Hei Mu Er | 黑木耳 |
Showing 1 to 10 of 10 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: TCMC770
Formula: C7H6O2
Ingredient ID: TCMC770
| Common Name | Benzoic Acid |
| IUPAC Name | hydron;benzoate |
| Canonical SMILES | OC(=O)c1ccccc1 |
| Standard InCHI | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
| Standard InCHIKey | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL541]; PubChem [20144841]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1150 | Gynura segetum | Jing Tian San Qi | 景天三七 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
Showing 1 to 10 of 67 entries
Ingredient ID: TCMC718
Formula: C21H24O6
Ingredient ID: TCMC718
| Common Name | Arctigenin |
| IUPAC Name | (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one |
| Canonical SMILES | COc1cc(ccc1OC)C[C@H]1COC(=O)[C@@H]1Cc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1 |
| Standard InCHIKey | NQWVSMVXKMHKTF-JKSUJKDBSA-N |
| External Identifiers | ChEMBL [CHEMBL435734]; PubChem [64981]; |
| Reference of Component-Ingredient Pair | 21435270 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1283 | Wikstroemia indica | Liao Ge Wang | 了哥王 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH2378 | Daphne genkwa | Yuan Hua | 芫花 |
| TCMH2379 | Daphne genkwa | Yuan Hua Gen | 芫花根 |
| TCMH2380 | Daphne genkwa | Yuan Hua Tiao | 芫花条 |
| TCMH2381 | Daphne genkwa | Yuan Hua Zhi Tiao | 芫花枝条 |
| TCMH2457 | Rosa canina | Ye Mei Gui Guo | 野玫瑰果 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC711
Formula: C21H20O10
Ingredient ID: TCMC711
| Common Name | Apigetrin |
| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | KMOUJOKENFFTPU-QNDFHXLGSA-N |
| External Identifiers | ChEMBL [CHEMBL487017]; PubChem [5280704]; |
| Reference of Component-Ingredient Pair | 20575388 |
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 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1487 | Buddleja officinalis | Mi Meng Hua | 密蒙花 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
Showing 1 to 10 of 52 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: TCMC6953
Formula: C19H12O7
Ingredient ID: TCMC6953
| Common Name | Isodaphnoretin |
| IUPAC Name | 7-hydroxy-6-methoxy-4-(2-oxochromen-7-yl)oxychromen-2-one |
| Canonical SMILES | COc1cc2c(Oc3ccc4c(c3)oc(=O)cc4)cc(=O)oc2cc1O |
| Standard InCHI | InChI=1S/C19H12O7/c1-23-17-7-12-15(8-13(17)20)26-19(22)9-16(12)24-11-4-2-10-3-5-18(21)25-14(10)6-11/h2-9,20H,1H3 |
| Standard InCHIKey | WRAJRUDKCRWIDN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [90467837]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6925
Formula: C34H36O10
Ingredient ID: TCMC6925
| Common Name | Yuanhuatin |
| IUPAC Name | [(1R,2R,4S,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] benzoate |
| Canonical SMILES | OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)[C@H](C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)c1ccccc1)C)c1ccccc1 |
| Standard InCHI | InChI=1S/C34H36O10/c1-17(2)32-25(40-28(37)20-11-7-5-8-12-20)19(4)33-22-15-18(3)24(36)31(22,39)29(38)30(16-35)26(41-30)23(33)27(32)42-34(43-32,44-33)21-13-9-6-10-14-21/h5-14,18-19,22-23,25-27,29,35,38-39H,1,15-16H2,2-4H3/t18-,19+,22+,23-,25+,26-,27+,29+,30-,31+,32-,33-,34+/m0/s1 |
| Standard InCHIKey | PDCNPZNDXUXVKI-URAILZDISA-N |
| External Identifiers | ChEMBL [CHEMBL2376820]; PubChem [73350391]; |
| Reference of Component-Ingredient Pair | 29199243 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6924
Formula: C29H32O10
Ingredient ID: TCMC6924
| Common Name | Yuanhuafin |
| IUPAC Name | [(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] acetate |
| Canonical SMILES | OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)C)C)c1ccccc1 |
| Standard InCHI | InChI=1S/C29H32O10/c1-13(2)27-21(35-16(5)31)15(4)28-18-11-14(3)20(32)26(18,34)24(33)25(12-30)22(36-25)19(28)23(27)37-29(38-27,39-28)17-9-7-6-8-10-17/h6-11,15,18-19,21-24,30,33-34H,1,12H2,2-5H3/t15-,18-,19+,21-,22+,23-,24-,25+,26-,27+,28+,29-/m1/s1 |
| Standard InCHIKey | YUNIKDZHTDZEHX-DBRWXJJLSA-N |
| External Identifiers | ChEMBL [CHEMBL2376815]; PubChem [73348814]; |
| Reference of Component-Ingredient Pair | 23988178 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6923
Formula: C29H34O10
Ingredient ID: TCMC6923
| Common Name | Yuanhuapin |
| IUPAC Name | [(1R,2R,4S,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] acetate |
| Canonical SMILES | OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)[C@H](C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)C)C)c1ccccc1 |
| Standard InCHI | InChI=1S/C29H34O10/c1-13(2)27-21(35-16(5)31)15(4)28-18-11-14(3)20(32)26(18,34)24(33)25(12-30)22(36-25)19(28)23(27)37-29(38-27,39-28)17-9-7-6-8-10-17/h6-10,14-15,18-19,21-24,30,33-34H,1,11-12H2,2-5H3/t14-,15+,18+,19-,21+,22-,23+,24+,25-,26+,27-,28-,29+/m0/s1 |
| Standard InCHIKey | KXQIRSPCAUQOEP-ZPMPWWEHSA-N |
| External Identifiers | ChEMBL [CHEMBL2376819]; PubChem [73347309]; |
| Reference of Component-Ingredient Pair | 25956226 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6306
Formula: C30H22O11
Ingredient ID: TCMC6306
| Common Name | Daphnodorin H |
| IUPAC Name | (1R,5S,6R,13S)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one |
| Canonical SMILES | Oc1ccc(cc1)[C@@H]1Oc2c(C[C@H]1O)c(O)cc1c2[C@@]2(O)C(=O)c3c(O)cc(cc3O[C@@]2(O1)c1ccc(cc1)O)O |
| Standard InCHI | InChI=1S/C30H22O11/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)39-26)29(38)28(37)24-20(35)9-17(33)10-22(24)40-30(29,41-23)14-3-7-16(32)8-4-14/h1-10,12,21,26,31-36,38H,11H2/t21-,26+,29-,30-/m1/s1 |
| Standard InCHIKey | SJKVDYNUXFTAEE-RAVJEGGQSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [15984107]; |
| Reference of Component-Ingredient Pair | 16220789 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6305
Formula: C30H22O11
Ingredient ID: TCMC6305
| Common Name | Daphnodorin G |
| IUPAC Name | (1S,5S,6R,13R)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one |
| Canonical SMILES | Oc1ccc(cc1)[C@@H]1Oc2c(C[C@H]1O)c(O)cc1c2[C@]2(O)C(=O)c3c(O)cc(cc3O[C@]2(O1)c1ccc(cc1)O)O |
| Standard InCHI | InChI=1S/C30H22O11/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)39-26)29(38)28(37)24-20(35)9-17(33)10-22(24)40-30(29,41-23)14-3-7-16(32)8-4-14/h1-10,12,21,26,31-36,38H,11H2/t21-,26+,29+,30+/m1/s1 |
| Standard InCHIKey | SJKVDYNUXFTAEE-SAOSBABKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [15984106]; |
| Reference of Component-Ingredient Pair | 16220789 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5108
Formula: C32H42O10
Ingredient ID: TCMC5108
| Common Name | Yuanhuadin |
| IUPAC Name | [(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] acetate |
| Canonical SMILES | CCCCC/C=C/C=C/[C@@]12O[C@H]3[C@](O1)(C(=C)C)[C@@H]([C@H]([C@@]1(O2)[C@H]3[C@@H]2O[C@@]2([C@H]([C@]2([C@H]1C=C(C2=O)C)O)O)CO)C)OC(=O)C |
| Standard InCHI | InChI=1S/C32H42O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h11-15,19,21-22,24-27,33,36-37H,2,7-10,16H2,1,3-6H3/b12-11+,14-13+/t19-,21-,22+,24-,25+,26-,27-,28+,29-,30-,31+,32+/m1/s1 |
| Standard InCHIKey | NHELFTYSELEEFD-SVAWBNMMSA-N |
| External Identifiers | ChEMBL [CHEMBL1911631]; PubChem [6440572]; |
| Reference of Component-Ingredient Pair | 23162902 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5090
Formula: C15H26O2
Ingredient ID: TCMC5090
| Common Name | Neryl Pentanoate |
| IUPAC Name | [(2Z)-3,7-dimethylocta-2,6-dienyl] pentanoate |
| Canonical SMILES | CCCCC(=O)OC/C=C(CCC=C(C)C)/C |
| Standard InCHI | InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11- |
| Standard InCHIKey | CVSWGLSBJFKWMW-KAMYIIQDSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6436375]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4947
Formula: C37H44O10
Ingredient ID: TCMC4947
| Common Name | Odoracin |
| IUPAC Name | [(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] benzoate |
| Canonical SMILES | CCCCC/C=C/C=C/[C@@]12O[C@H]3[C@](O1)(C(=C)C)[C@@H]([C@H]([C@@]1(O2)[C@H]3[C@@H]2O[C@@]2([C@H]([C@]2([C@H]1C=C(C2=O)C)O)O)CO)C)OC(=O)c1ccccc1 |
| Standard InCHI | InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-34-45-30-26-29-33(20-38,44-29)32(41)35(42)25(19-22(4)27(35)39)37(26,47-34)23(5)28(36(30,46-34)21(2)3)43-31(40)24-16-13-12-14-17-24/h10-19,23,25-26,28-30,32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25-,26+,28-,29+,30-,32-,33+,34-,35-,36+,37+/m1/s1 |
| Standard InCHIKey | CGSGRJNIABXQJQ-NSCQCFIPSA-N |
| External Identifiers | ChEMBL [CHEMBL504425]; PubChem [5358691]; |
| Reference of Component-Ingredient Pair | 3754212 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4625
Formula: C16H12O6
Ingredient ID: TCMC4625
| Common Name | Hydroxygenkwanin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3 |
| Standard InCHIKey | RRRSSAVLTCVNIQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL183745]; PubChem [5318214]; |
| Reference of Component-Ingredient Pair | 17193312 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4579
Formula: C20H16O7
Ingredient ID: TCMC4579
| Common Name | Genkdaphin |
| IUPAC Name | (3R,3aR,6R,6aS)-3,6-bis(1,3-benzodioxol-5-yl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one |
| Canonical SMILES | O=C1O[C@H]([C@H]2[C@@H]1[C@@H](OC2)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C20H16O7/c21-20-17-12(18(27-20)10-1-3-13-15(5-10)25-8-23-13)7-22-19(17)11-2-4-14-16(6-11)26-9-24-14/h1-6,12,17-19H,7-9H2/t12-,17-,18+,19+/m1/s1 |
| Standard InCHIKey | UIPQDOWYNRWNGN-WSFKTYETSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5317554]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4348
Formula: C16H12O5
Ingredient ID: TCMC4348
| Common Name | Genkwanin |
| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 |
| Standard InCHIKey | JPMYFOBNRRGFNO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL210635]; PubChem [5281617]; |
| Reference of Component-Ingredient Pair | 22623883 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2709
Formula: C21H20O10
Ingredient ID: TCMC2709
| Common Name | Apigenin-7-O-Glucoside |
| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1OC(Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21?/m1/s1 |
| Standard InCHIKey | KMOUJOKENFFTPU-MKJMBMEGSA-N |
| External Identifiers | ChEMBL [CHEMBL2165585]; PubChem [12304093]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1487 | Buddleja officinalis | Mi Meng Hua | 密蒙花 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH2378 | Daphne genkwa | Yuan Hua | 芫花 |
| TCMH2379 | Daphne genkwa | Yuan Hua Gen | 芫花根 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC2457
Formula: C20H22O6
Ingredient ID: TCMC2457
| Common Name | (+/-)-Pinoresinol |
| IUPAC Name | 4-[6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol |
| Canonical SMILES | COc1cc(ccc1O)C1OCC2C1COC2c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3 |
| Standard InCHIKey | HGXBRUKMWQGOIE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2252392]; PubChem [234817]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| 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 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
| TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
Showing 1 to 10 of 28 entries
Ingredient ID: TCMC2257
Formula: C16H12O6
Ingredient ID: TCMC2257
| Common Name | Rhamnocitrin |
| IUPAC Name | 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3 |
| Standard InCHIKey | MQSZRBPYXNEFHF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL442289]; PubChem [5320946]; |
| Reference of Component-Ingredient Pair | 24685503 |
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 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1697 | Iris tectorum | Qing Wa Qi | 青蛙七 |
| TCMH1810 | Semen astragali complanati | Sha Yuan Ji Li | 沙苑蒺藜 |
| TCMH1811 | Semen astragali complanati | Sha Yuan Zi | 沙苑子 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH1870 | Belamcanda chinensis | She Gan | 射干 |
| TCMH1930 | Umbilicaria esculenta | Shi Er | 石耳 |
| TCMH2121 | Semen astragali complanati | Tong Ji Li | 潼蒺藜 |
Showing 1 to 10 of 37 entries
Ingredient ID: TCMC2168
Formula: C30H26O13
Ingredient ID: TCMC2168
| Common Name | Tiliroside |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Canonical SMILES | O=C(OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1 |
| Standard InCHIKey | DVGGLGXQSFURLP-VWMSDXGPSA-N |
| External Identifiers | ChEMBL [CHEMBL266564]; PubChem [5320686]; |
| Reference of Component-Ingredient Pair | 17323972 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1683 | Canarium album | Qing Guo | 青果 |
| TCMH1686 | Canarium album | Qing Guo Tan | 青果炭 |
| TCMH2017 | Artemisia lactiflora | Si Ji Cai | 四季菜 |
| TCMH2362 | Artemisia lactiflora | Ya Jiao Ai | 鸭脚艾 |
| TCMH2378 | Daphne genkwa | Yuan Hua | 芫花 |
| TCMH2379 | Daphne genkwa | Yuan Hua Gen | 芫花根 |
| TCMH2380 | Daphne genkwa | Yuan Hua Tiao | 芫花条 |
| TCMH2381 | Daphne genkwa | Yuan Hua Zhi Tiao | 芫花枝条 |
| TCMH281 | Dipsacus asper | Chuan Duan | 川断 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC2129
Formula: C30H50O
Ingredient ID: TCMC2129
| Common Name | Taraxerol |
| IUPAC Name | (3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@@]2(C1=CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C)C |
| Standard InCHI | InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1 |
| Standard InCHIKey | GGGUGZHBAOMSFJ-GADYQYKKSA-N |
| External Identifiers | ChEMBL [CHEMBL511822]; PubChem [92097]; |
| Reference of Component-Ingredient Pair | 17803686 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1643 | Syzygium jambos | Pu Tao(1) | 蒲桃 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH2347 | Ventilago leiocarpa | Xue Feng Teng | 血风藤 |
| TCMH2378 | Daphne genkwa | Yuan Hua | 芫花 |
| TCMH2379 | Daphne genkwa | Yuan Hua Gen | 芫花根 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC2117
Formula: C22H26O8
Ingredient ID: TCMC2117
| Common Name | Syringaresinol |
| IUPAC Name | 4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol |
| Canonical SMILES | COc1cc(cc(c1O)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(c(c1)OC)O |
| Standard InCHI | InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1 |
| Standard InCHIKey | KOWMJRJXZMEZLD-HCIHMXRSSA-N |
| External Identifiers | ChEMBL [CHEMBL361362]; PubChem [443023]; |
| Reference of Component-Ingredient Pair | 23444043 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH149 | Lepidium apetalum | Bei Ting Li Zi | 北葶苈子 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| 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 32 entries
Ingredient ID: TCMC2066
Formula: C20H18O6
Ingredient ID: TCMC2066
| Common Name | Sesamin |
| IUPAC Name | 5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole |
| Canonical SMILES | C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1 |
| Standard InCHIKey | PEYUIKBAABKQKQ-AFHBHXEDSA-N |
| External Identifiers | ChEMBL [CHEMBL252915]; PubChem [72307]; |
| Reference of Component-Ingredient Pair | 23337743 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1187 | Gynura japonica | Ju San Qi | 菊三七 |
| TCMH1191 | Gynura japonica | Ju Ye San Qi | 菊叶三七 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH158 | Piper longum | Bi Ba | 荜茇 |
| 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 |
Showing 1 to 10 of 31 entries
Ingredient ID: TCMC19
Formula: C20H22O6
Ingredient ID: TCMC19
| Common Name | (-)-Pinoresinol |
| IUPAC Name | 4-[(3R,3aR,6R,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol |
| Canonical SMILES | COc1cc(ccc1O)[C@@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20-/m0/s1 |
| Standard InCHIKey | HGXBRUKMWQGOIE-FEBSWUBLSA-N |
| External Identifiers | ChEMBL [CHEMBL460862]; PubChem [12309637]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1139 | Radix euphorbiae pekinensis | Jing Da Ji | 京大戟 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| 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 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
Showing 1 to 10 of 27 entries
Ingredient ID: TCMC1899
Formula: C20H22O6
Ingredient ID: TCMC1899
| Common Name | Pinoresinol |
| IUPAC Name | 4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol |
| Canonical SMILES | COc1cc(ccc1O)[C@@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20+/m0/s1 |
| Standard InCHIKey | HGXBRUKMWQGOIE-WZBLMQSHSA-N |
| External Identifiers | ChEMBL [CHEMBL487611]; PubChem [637584]; |
| Reference of Component-Ingredient Pair | 23444043 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1245 | Stellera chamaejasme | Lang Du | 狼毒 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| 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 |
| TCMH2050 | Punica granatum | Suan Shi Liu | 酸石榴 |
Showing 1 to 10 of 30 entries
Ingredient ID: TCMC1516
Formula: C15H10O6
Ingredient ID: TCMC1516
| Common Name | Luteolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H |
| Standard InCHIKey | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL151]; PubChem [5280445]; |
| Reference of Component-Ingredient Pair | 23122135 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 140 entries
Ingredient ID: TCMC1515
Formula: C30H50O
Ingredient ID: TCMC1515
| Common Name | Lupeol |
| IUPAC Name | (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C |
| Standard InCHI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
| Standard InCHIKey | MQYXUWHLBZFQQO-QGTGJCAVSA-N |
| External Identifiers | ChEMBL [CHEMBL289191]; PubChem [259846]; |
| Reference of Component-Ingredient Pair | 22898386 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
Showing 1 to 10 of 60 entries
Ingredient ID: TCMC1429
Formula: C15H10O6
Ingredient ID: TCMC1429
| Common Name | Kaempferol |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H |
| Standard InCHIKey | IYRMWMYZSQPJKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL150]; PubChem [5280863]; |
| Reference of Component-Ingredient Pair | 29162470 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Showing 1 to 10 of 188 entries
Ingredient ID: TCMC1245
Formula: C15H12O6
Ingredient ID: TCMC1245
| Common Name | Getiacaulein |
| IUPAC Name | 2,8-dihydroxy-1,6-dimethoxyxanthen-9-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc1c(c2=O)c(OC)c(cc1)O |
| Standard InCHI | InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3 |
| Standard InCHIKey | WYOSCUWDVFHQFY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL467590]; PubChem [5281634]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH2154 | Artemisia capillaris | Tu Yin Chen Hao | 土茵陈蒿 |
| TCMH2378 | Daphne genkwa | Yuan Hua | 芫花 |
| TCMH2379 | Daphne genkwa | Yuan Hua Gen | 芫花根 |
| TCMH2380 | Daphne genkwa | Yuan Hua Tiao | 芫花条 |
| TCMH2381 | Daphne genkwa | Yuan Hua Zhi Tiao | 芫花枝条 |
| TCMH2494 | Artemisia capillaris | Yin Chen Hao | 茵陈蒿 |
| TCMH2495 | Artemisia capillaris | Yin Chen Hao Gan Jin Gao | 茵陈蒿干浸膏 |
| TCMH344 | Daphne genkwa | Cu Yuan Hua | 醋芫花 |
Showing 1 to 9 of 9 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1245 | C15H12O6 | Getiacaulein | 288.06 | -1.4421 | 2.45 | 0.689 | 1 | 2 | 85.22 | 6 | 3 | 21 | 0 |
| TCMC1429 | C15H10O6 | Kaempferol | 286.05 | -2.3409 | 2.45 | 1.915 | 2 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC1515 | C30H50O | Lupeol | 426.39 | 3.2313 | 4.65 | 11.901 | 1 | 1 | 20.23 | 9 | 5 | 31 | 1 |
| TCMC1516 | C15H10O6 | Luteolin | 286.05 | -2.3448 | 2.45 | 1.033 | 1 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC1899 | C20H22O6 | Pinoresinol | 358.14 | -2.0222 | 3 | 1.684 | 2 | 2 | 77.38 | 8 | 4 | 26 | 0 |
| TCMC19 | C20H22O6 | (-)-Pinoresinol | 358.14 | -2.0222 | 3 | 1.684 | 2 | 2 | 77.38 | 8 | 4 | 26 | 0 |
| TCMC2066 | C20H18O6 | Sesamin | 354.11 | -1.6034 | 3 | 2.576 | 2 | 0 | 55.38 | 2 | 6 | 26 | 0 |
| TCMC2117 | C22H26O8 | Syringaresinol | 418.16 | -2.1258 | 3 | 0.796 | 2 | 2 | 95.84 | 12 | 4 | 30 | 0 |
| TCMC2129 | C30H50O | Taraxerol | 426.39 | 3.4636 | 4.65 | 11.352 | 1 | 1 | 20.23 | 9 | 5 | 31 | 1 |
| TCMC2168 | C30H26O13 | Tiliroside | 594.14 | -4.1618 | 3.33 | 2.457 | 8 | 7 | 212.67 | 15 | 5 | 43 | 1 |
Showing 1 to 10 of 31 entries
Download Data
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