Description of the Component
Component ID |
TCMH1503 |
Latin Name |
Eclipta prostrata |
English Name |
Yerbadetajo |
Chinese Pinyin Name |
Mo Han Lian |
中文名 |
墨旱莲 |
TCM Properties |
Cold,Sweet,Sour |
TCM Meridians |
Liver,Kidney |
Therapeutic Class English |
For tonifying weakness |
Therapeutic Class Chinese |
补虚 |
Functions |
replenish the liver and the kidney, and arrest bleeding by removing heat from blood |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Jiangsu Province,Shanghai |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAP4516-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1018 | Yi Nao Ning Tablet | 益脑宁片 |
| TCMF1095 | Wei Xue Ning Granules | 维血宁颗粒 |
| TCMF1114 | Zi Bu Sheng Fa Tablet | 滋补生发片 |
| TCMF121 | Wei Xue Ning Recipe | 维血宁合剂 |
| TCMF1361 | Anshen Buxin Pills, Sedative and Heart-Invigorating Pill | 安神补心丸 |
| TCMF1397 | Shouwu Pills | 首乌丸 |
| TCMF2222 | Tonic Semifluid Extract of Ginseng and Venison | 参鹿补膏 |
| TCMF225 | Nü Zhen Granules | 女珍颗粒 |
| TCMF2258 | Anshen Buxin Pills | 安神补心丸 |
| TCMF2496 | Shouwu Pills | 首乌丸 |
Showing 1 to 10 of 85 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 |
| TCMT103 | PTPRF | Receptor-type tyrosine-protein phosphatase F (LAR) | Hydrolase | P10586 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
| TCMT128 | TNKS2 | Tankyrase-2 | Transferase | Q9H2K2 |
| TCMT129 | TNKS | Tankyrase-1 | Transferase | O95271 |
Showing 1 to 10 of 100 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 |
| TCMT1121 | Sialidase |
| TCMT1181 | Mycobacterium tuberculosis H37Ra |
| TCMT1189 | Pseudomonas fluorescens |
| TCMT1212 | Verticillium dahliae |
| TCMT1213 | Neisseria gonorrhoeae |
Showing 1 to 10 of 33 entries
Ingredient Structrues
Ingredient ID: TCMC897
Formula: C16H18O9
Ingredient ID: TCMC897
| Common Name | Chlorogenic Acid |
| IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| Standard InCHIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
| External Identifiers | ChEMBL [CHEMBL284616]; PubChem [1794427]; |
| Reference of Component-Ingredient Pair | 29136249 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 197 entries
Ingredient ID: TCMC804
Formula: C30H48O3
Ingredient ID: TCMC804
| Common Name | Betulinic Acid |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid |
| 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(=O)O |
| Standard InCHI | InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | QGJZLNKBHJESQX-FZFNOLFKSA-N |
| External Identifiers | ChEMBL [CHEMBL269277]; PubChem [64971]; |
| Reference of Component-Ingredient Pair | 23821410 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1315 | Salix babylonica | Liu Zhi | 柳枝 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
Showing 1 to 10 of 59 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: 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: TCMC6727
Formula: C36H58O9
Ingredient ID: TCMC6727
| Common Name | Ecliptasaponin |
| IUPAC Name | (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@@H]3CC(C)(C)CC2)C(=O)[O-])O)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/p-1/t20-,21-,22+,23-,24-,25+,26-,27+,28-,29+,33+,34-,35-,36-/m1/s1 |
| Standard InCHIKey | WYDPEADEZMZKNM-RLYNJOFXSA-M |
| External Identifiers | ChEMBL [CHEMBL444179]; PubChem [44584168]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC672
Formula: C13H10OS3
Ingredient ID: TCMC672
| Common Name | Alpha-Terthienylmethanol |
| IUPAC Name | [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methanol |
| Canonical SMILES | OCc1ccc(s1)c1ccc(s1)c1cccs1 |
| Standard InCHI | InChI=1S/C13H10OS3/c14-8-9-3-4-12(16-9)13-6-5-11(17-13)10-2-1-7-15-10/h1-7,14H,8H2 |
| Standard InCHIKey | WAYZWWNNJZMQCQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL90170]; PubChem [454740]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6532
Formula: C27H46O
Ingredient ID: TCMC6532
| Common Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-1,4-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](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)C |
| Standard InCHI | InChI=1S/C27H46O/c1-6-18(2)7-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| Standard InCHIKey | BUFUFDXBXMUAJU-YSQMORBQSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21670847]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6531
Formula: C27H44O
Ingredient ID: TCMC6531
| Common Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4R)-1,4-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5R)-5-methylhept-3-en-2-yl]-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@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)C |
| Standard InCHI | InChI=1S/C27H44O/c1-6-18(2)7-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7-9,18-19,21-25,28H,6,10-17H2,1-5H3/b8-7+/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| Standard InCHIKey | UBEHHDQAQBJTAE-YUADBYKZSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21670844]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6259
Formula: C15H24
Ingredient ID: TCMC6259
| Common Name | Β-Guaiene |
| IUPAC Name | (1S,4S)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene |
| Canonical SMILES | CC(=C1CC[C@@H](C2=C(C1)[C@@H](C)CC2)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1 |
| Standard InCHIKey | GIBQERSGRNPMEH-RYUDHWBXSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [15560252]; |
| Reference of Component-Ingredient Pair | 25920204 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5525
Formula: C16H21NO4
Ingredient ID: TCMC5525
| Common Name | 3-[(2S)-2,3-dihydroxy-3-methyl-butyl]-4-methoxy-1-methyl-carbostyril |
| IUPAC Name | 3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methylquinolin-2-one |
| Canonical SMILES | COc1c(C[C@@H](C(O)(C)C)O)c(=O)n(c2c1cccc2)C |
| Standard InCHI | InChI=1S/C16H21NO4/c1-16(2,20)13(18)9-11-14(21-4)10-7-5-6-8-12(10)17(3)15(11)19/h5-8,13,18,20H,9H2,1-4H3/t13-/m0/s1 |
| Standard InCHIKey | NHNXJYYEQLVCAZ-ZDUSSCGKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10902387]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5015
Formula: C15H8O7
Ingredient ID: TCMC5015
| Common Name | 1,3,8,9-tetrahydroxybenzofurano[3,2-c]chromen-6-one |
| IUPAC Name | 1,3,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(=O)c1c2oc2c1cc(c(c2)O)O |
| Standard InCHI | InChI=1S/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H |
| Standard InCHIKey | LUTYTNLPIUCKBJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2089002]; PubChem [5489605]; |
| Reference of Component-Ingredient Pair | 22926226 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4762
Formula: C16H12O6
Ingredient ID: TCMC4762
| Common Name | 3'-O-Methylorobol |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(ccc1O)c1coc2c(c1=O)c(O)cc(c2)O |
| Standard InCHI | InChI=1S/C16H12O6/c1-21-13-4-8(2-3-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3 |
| Standard InCHIKey | ZMFBGWWGXBNJAC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL241402]; PubChem [5319744]; |
| Reference of Component-Ingredient Pair | 21265557 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4533
Formula: C28H32O14
Ingredient ID: TCMC4533
| Common Name | Acacini,Linarin |
| IUPAC Name | 5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
| Standard InCHIKey | YFVGIJBUXMQFOF-PJOVQGMDSA-N |
| External Identifiers | ChEMBL [CHEMBL509502]; PubChem [5317025]; |
| Reference of Component-Ingredient Pair | 26672342 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4370
Formula: C16H12O6
Ingredient ID: TCMC4370
| Common Name | Pratensein |
| IUPAC Name | 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)c1coc2c(c1=O)c(O)cc(c2)O |
| Standard InCHI | InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3 |
| Standard InCHIKey | FPIOBTBNRZPWJW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL252904]; PubChem [5281803]; |
| Reference of Component-Ingredient Pair | 18098226 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4184
Formula: C18H36O
Ingredient ID: TCMC4184
| Common Name | Hexahydrofarnesyl Acetone |
| IUPAC Name | (6S,10S)-6,10,14-trimethylpentadecan-2-one |
| Canonical SMILES | C[C@@H](CCCC(C)C)CCC[C@@H](CCCC(=O)C)C |
| Standard InCHI | InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3/t16-,17-/m0/s1 |
| Standard InCHIKey | WHWDWIHXSPCOKZ-IRXDYDNUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [1810797]; |
| Reference of Component-Ingredient Pair | US9458076 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4178
Formula: C15H24O
Ingredient ID: TCMC4178
| Common Name | (-)-Caryophyllene Oxide,(1R,4R,6R,10S)-4,12,12-Trimethyl-9-Methylidene-5-Oxatricyclo[8.2.0.0~4,6~]Dodecane |
| IUPAC Name | (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane |
| Canonical SMILES | C=C1CC[C@H]2O[C@@]2(CC[C@@H]2[C@@H]1CC2(C)C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1 |
| Standard InCHIKey | NVEQFIOZRFFVFW-RGCMKSIDSA-N |
| External Identifiers | ChEMBL [CHEMBL508894]; PubChem [1742210]; |
| Reference of Component-Ingredient Pair | 28344896 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4108
Formula: C15H8O3
Ingredient ID: TCMC4108
| Common Name | Benzofurano(3',2':3,4)coumarin |
| IUPAC Name | [1]benzofuro[3,2-c]chromen-6-one |
| Canonical SMILES | O=c1oc2ccccc2c2c1c1ccccc1o2 |
| Standard InCHI | InChI=1S/C15H8O3/c16-15-13-9-5-1-3-7-11(9)17-14(13)10-6-2-4-8-12(10)18-15/h1-8H |
| Standard InCHIKey | JBIZUYWOIKFETJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [638309]; |
| Reference of Component-Ingredient Pair | 22951390 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3943
Formula: C10H18O
Ingredient ID: TCMC3943
| Common Name | (1R,2R,4R)-Dihydrocarveol |
| IUPAC Name | (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@H]([C@@H](C1)O)C |
| Standard InCHI | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m1/s1 |
| Standard InCHIKey | KRCZYMFUWVJCLI-OPRDCNLKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [443163]; |
| Reference of Component-Ingredient Pair | 18640226 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3561
Formula: C13H8O2S3
Ingredient ID: TCMC3561
| Common Name | .alpha.-T COOH deriv. |
| IUPAC Name | 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylic acid |
| Canonical SMILES | [O-]C(=O)c1ccc(s1)c1ccc(s1)c1cccs1 |
| Standard InCHI | InChI=1S/C13H8O2S3/c14-13(15)12-6-5-11(18-12)10-4-3-9(17-10)8-2-1-7-16-8/h1-7H,(H,14,15)/p-1 |
| Standard InCHIKey | LUORRMUDVBMZFF-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [159047]; |
| Reference of Component-Ingredient Pair | 19673538 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC34
Formula: C10H14N2
Ingredient ID: TCMC34
| Common Name | (+/-)Nicotine |
| IUPAC Name | 3-(1-methylpyrrolidin-2-yl)pyridine |
| Canonical SMILES | CN1CCCC1c1cccnc1 |
| Standard InCHI | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 |
| Standard InCHIKey | SNICXCGAKADSCV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL440464]; PubChem [942]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1503 | Eclipta prostrata | Mo Han Lian | 墨旱莲 |
| TCMH1535 | Equisetum hiemale | Mu Zei | 木贼 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH358 | Areca catechu | Da Fu Zi | 大腹子 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH428 | Codonopsis pilosula | Dang Shen Qing Gao | 党参清膏 |
| TCMH64 | Piper nigrum | Bai Hu Jiao | 白胡椒 |
| TCMH839 | Piper nigrum | Hei Hu Jiao | 黑胡椒 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC3395
Formula: C30H48O5
Ingredient ID: TCMC3395
| Common Name | Caulophyllogenin |
| IUPAC Name | (4aR,5R,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-5,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@@H](O)[C@@]1([C@H]2CC(CC1)(C)C)C(=O)[O-])C)C |
| Standard InCHI | InChI=1S/C30H48O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/p-1/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1 |
| Standard InCHIKey | FABOBEOYNMHSHB-UAWZMHPWSA-M |
| External Identifiers | ChEMBL [CHEMBL2386968]; PubChem [104361]; |
| Reference of Component-Ingredient Pair | 27283034 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3244
Formula: C30H48O4
Ingredient ID: TCMC3244
| Common Name | echinocystic acid |
| IUPAC Name | (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | O[C@@H]1C[C@]2(C)C(=CC[C@H]3[C@@]2(C)CC[C@@H]2[C@]3(C)CC[C@@H](C2(C)C)O)[C@H]2[C@@]1(CCC(C2)(C)C)C(=O)[O-] |
| Standard InCHI | InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/p-1/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1 |
| Standard InCHIKey | YKOPWPOFWMYZJZ-PRIAQAIDSA-M |
| External Identifiers | ChEMBL [CHEMBL230128]; PubChem [73309]; |
| Reference of Component-Ingredient Pair | 24623716 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2822
Formula: C15H24
Ingredient ID: TCMC2822
| Common Name | Alpha-Humulone |
| IUPAC Name | (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
| Canonical SMILES | C/C/1=CCC(C)(C)/C=C/C/C(=C/CC1)/C |
| Standard InCHI | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ |
| Standard InCHIKey | FAMPSKZZVDUYOS-HRGUGZIWSA-N |
| External Identifiers | ChEMBL [CHEMBL251280]; PubChem [5281520]; |
| Reference of Component-Ingredient Pair | 29248443 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
Showing 1 to 10 of 111 entries
Ingredient ID: TCMC2586
Formula: C26H29NO5
Ingredient ID: TCMC2586
| Common Name | Vertine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)[C@@H]1C[C@@H](OC(=O)/C=Cc3cc2c(O)cc3)C[C@@H]2N1CCCC2 |
| Standard InCHI | InChI=1S/C26H29NO5/c1-30-24-14-19-20(15-25(24)31-2)22-13-18(12-17-5-3-4-10-27(17)22)32-26(29)9-7-16-6-8-23(28)21(19)11-16/h6-9,11,14-15,17-18,22,28H,3-5,10,12-13H2,1-2H3/b9-7-/t17-,18+,22+/m1/s1 |
| Standard InCHIKey | WCZWUYYJZVBKDZ-VMSBZHFZSA-N |
| External Identifiers | ChEMBL [CHEMBL1173218]; PubChem [5315204]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2512
Formula: C12H8S3
Ingredient ID: TCMC2512
| Common Name | Alpha-Terthienyl |
| IUPAC Name | 2,5-dithiophen-2-ylthiophene |
| Canonical SMILES | c1csc(c1)c1ccc(s1)c1cccs1 |
| Standard InCHI | InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H |
| Standard InCHIKey | KXSFECAJUBPPFE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL90017]; PubChem [65067]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
| TCMH1331 | Rhaponticum uniflorum | Lou Lu | 漏芦 |
| TCMH1503 | Eclipta prostrata | Mo Han Lian | 墨旱莲 |
| TCMH2733 | Trachycarpus fortunei | Zong Ban | 棕板 |
| TCMH2734 | Trachycarpus fortunei | Zong Ban Tan | 棕板炭 |
| TCMH2738 | Trachycarpus fortunei | Zong Lv Pi | 棕榈皮 |
| TCMH2740 | Trachycarpus fortunei | Zong Lv Zi | 棕榈子 |
| TCMH320 | Tribulus terrestris | Ci Ji Li | 刺蒺藜 |
| TCMH73 | Tribulus terrestris | Bai Ji Li | 白蒺藜 |
| TCMH800 | Herba ecliptae prostratae | Han Lian Cao | 旱莲草 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC2493
Formula: C20H40O
Ingredient ID: TCMC2493
| Common Name | 3,7,11,15-Tetramethylhexadec-2-En-1-Ol |
| IUPAC Name | (E)-3,7,11,15-tetramethylhexadec-2-en-1-ol |
| Canonical SMILES | OC/C=C(/CCCC(CCCC(CCCC(C)C)C)C)C |
| Standard InCHI | InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+ |
| Standard InCHIKey | BOTWFXYSPFMFNR-HMMYKYKNSA-N |
| External Identifiers | ChEMBL [CHEMBL390773]; PubChem [5366244]; |
| 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 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| 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 |
| TCMH1503 | Eclipta prostrata | Mo Han Lian | 墨旱莲 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2235
Formula: C16H10O7
Ingredient ID: TCMC2235
| Common Name | Wedelolactone |
| IUPAC Name | 1,8,9-trihydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc(=O)c1c2oc2c1cc(c(c2)O)O |
| Standard InCHI | InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3 |
| Standard InCHIKey | XQDCKJKKMFWXGB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL97453]; PubChem [5281813]; |
| Reference of Component-Ingredient Pair | 27793764 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2182
Formula: C20H40O
Ingredient ID: TCMC2182
| Common Name | Trans-Phytol |
| IUPAC Name | (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol |
| Canonical SMILES | OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C |
| Standard InCHI | InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1 |
| Standard InCHIKey | BOTWFXYSPFMFNR-PYDDKJGSSA-N |
| External Identifiers | ChEMBL [CHEMBL1644111]; PubChem [5280435]; |
| Reference of Component-Ingredient Pair | 28344896 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1053 | Saponaria officinalis | Jian Hua | 碱花 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
Showing 1 to 10 of 46 entries
Ingredient ID: TCMC2105
Formula: C18H36O2
Ingredient ID: TCMC2105
| Common Name | Stearic Acid |
| IUPAC Name | octadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) |
| Standard InCHIKey | QIQXTHQIDYTFRH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL46403]; PubChem [5281]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 176 entries
Ingredient ID: TCMC2054
Formula: C15H10O6
Ingredient ID: TCMC2054
| Common Name | Scutellarein |
| IUPAC Name | 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H |
| Standard InCHIKey | JVXZRQGOGOXCEC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL55415]; PubChem [5281697]; |
| Reference of Component-Ingredient Pair | 22944352 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1503 | Eclipta prostrata | Mo Han Lian | 墨旱莲 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
| TCMH2450 | Scoparia dulcis | Ye Gan Cao | 野甘草 |
| TCMH440 | Erigeron breviscapus | Deng Zhan Xi Xin | 灯盏细辛 |
| TCMH807 | Scutellaria indica | Han Xin Cao | 韩信草 |
| TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC1830
Formula: C16H32O2
Ingredient ID: TCMC1830
| Common Name | Palmitic Acid |
| IUPAC Name | hexadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) |
| Standard InCHIKey | IPCSVZSSVZVIGE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL82293]; PubChem [985]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
Showing 1 to 10 of 274 entries
Ingredient ID: TCMC1788
Formula: C18H34O2
Ingredient ID: TCMC1788
| Common Name | Oleic Acid |
| IUPAC Name | (Z)-octadec-9-enoic acid |
| Canonical SMILES | CCCCCCCC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- |
| Standard InCHIKey | ZQPPMHVWECSIRJ-KTKRTIGZSA-N |
| External Identifiers | ChEMBL [CHEMBL8659]; PubChem [445639]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 166 entries
Ingredient ID: 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: TCMC1495
Formula: C18H32O2
Ingredient ID: TCMC1495
| Common Name | Linoleic Acid |
| IUPAC Name | (9Z,12Z)-octadeca-9,12-dienoic acid |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- |
| Standard InCHIKey | OYHQOLUKZRVURQ-HZJYTTRNSA-N |
| External Identifiers | ChEMBL [CHEMBL267476]; PubChem [5280450]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 216 entries
Ingredient ID: TCMC1207
Formula: C38H44O8
Ingredient ID: TCMC1207
| Common Name | Gambogic Acid |
| IUPAC Name | n.a. |
| Canonical SMILES | CC(=CCc1c2O[C@]34[C@@]5(C/C=C(C(=O)O)/C)OC([C@@H]4C[C@H](C5=O)C=C3C(=O)c2c(c2c1O[C@](C)(CCC=C(C)C)C=C2)O)(C)C)C |
| Standard InCHI | InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1 |
| Standard InCHIKey | GEZHEQNLKAOMCA-RRZNCOCZSA-N |
| External Identifiers | ChEMBL [CHEMBL555017]; PubChem [9852185]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1206
Formula: C21H20O11
Ingredient ID: TCMC1206
| Common Name | Galuteolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 |
| Standard InCHIKey | PEFNSGRTCBGNAN-QNDFHXLGSA-N |
| External Identifiers | ChEMBL [CHEMBL233929]; PubChem [5280637]; |
| Reference of Component-Ingredient Pair | 22885972 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1125 | Herba chrysosplenii | Jin Yao Cao | 金腰草 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1064
Formula: C16H12O6
Ingredient ID: TCMC1064
| Common Name | Diosmetin |
| IUPAC Name | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3 |
| Standard InCHIKey | MBNGWHIJMBWFHU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL90568]; PubChem [5281612]; |
| Reference of Component-Ingredient Pair | 22860452 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH1503 | Eclipta prostrata | Mo Han Lian | 墨旱莲 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
Showing 1 to 10 of 48 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1064 | C16H12O6 | Diosmetin | 300.06 | -1.9363 | 2.56 | 1.123 | 1 | 3 | 96.22 | 6 | 3 | 22 | 0 |
| TCMC1206 | C21H20O11 | Galuteolin | 448.1 | -4.0917 | 2.56 | -0.075 | 6 | 7 | 186.37 | 11 | 4 | 32 | 1 |
| TCMC1207 | C38H44O8 | Gambogic Acid | 628.3 | 3.7619 | 4.76 | 4.241 | 5 | 2 | 119.36 | 18 | 4 | 46 | 0 |
| TCMC1495 | C18H32O2 | Linoleic Acid | 280.24 | -0.9485 | 3.22 | 7.865 | 2 | 1 | 37.3 | 16 | 0 | 20 | 2 |
| TCMC1516 | C15H10O6 | Luteolin | 286.05 | -2.3448 | 2.45 | 1.033 | 1 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC1788 | C18H34O2 | Oleic Acid | 282.26 | -2.3427 | 3.22 | 8.192 | 2 | 1 | 37.3 | 17 | 0 | 20 | 2 |
| TCMC1830 | C16H32O2 | Palmitic Acid | 256.24 | -3.8977 | 3 | 7.57 | 2 | 1 | 37.3 | 16 | 0 | 18 | 2 |
| TCMC2054 | C15H10O6 | Scutellarein | 286.05 | -2.3448 | 2.45 | 1.462 | 1 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC2105 | C18H36O2 | Stearic Acid | 284.27 | -4.4737 | 3.22 | 8.708 | 2 | 1 | 37.3 | 18 | 0 | 20 | 2 |
| TCMC2182 | C20H40O | Trans-Phytol | 296.31 | 1.7816 | 3.55 | 8.949 | 1 | 1 | 20.23 | 19 | 0 | 21 | 2 |
Showing 1 to 10 of 37 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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