Description of the Component
Component ID |
TCMH303 |
Latin Name |
Andrographis herba |
English Name |
Powder of green chiretta leaves |
Chinese Pinyin Name |
Chuan Xin Lian Ye |
中文名 |
穿心莲叶 |
TCM Properties |
Cold,Bitter |
TCM Meridians |
Lung,Large Intestine,Stomach,Small Intestine |
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
ITSAO3492-14 |
Barcode Source |
BOLDSYSTEMS |
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
| 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 |
| TCMT135 | CA14 | Carbonic anhydrase XIV | Lyase | Q9ULX7 |
| TCMT136 | CA12 | Carbonic anhydrase XII | Lyase | O43570 |
Showing 1 to 10 of 49 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1108 | Integrase |
| TCMT1218 | Staphylococcus aureus |
| TCMT1246 | Escherichia coli |
| TCMT1251 | Candida albicans |
| TCMT1253 | Penicillium chrysogenum |
| TCMT1346 | Helicobacter pylori |
| TCMT1444 | Fusarium oxysporum |
| TCMT1454 | Bacillus subtilis |
| TCMT1462 | Streptococcus mutans |
| TCMT1464 | Hepatitis B virus |
Showing 1 to 10 of 10 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: TCMC872
Formula: C10H14O
Ingredient ID: TCMC872
| Common Name | Carvacrol |
| IUPAC Name | 2-methyl-5-propan-2-ylphenol |
| Canonical SMILES | CC(c1ccc(c(c1)O)C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3 |
| Standard InCHIKey | RECUKUPTGUEGMW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL281202]; PubChem [10364]; |
| Reference of Component-Ingredient Pair | 29658714 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| 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 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 74 entries
Ingredient ID: TCMC847
Formula: C9H8O4
Ingredient ID: TCMC847
| Common Name | Caffeic Acid |
| IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
| Standard InCHIKey | QAIPRVGONGVQAS-DUXPYHPUSA-N |
| External Identifiers | ChEMBL [CHEMBL145]; PubChem [689043]; |
| Reference of Component-Ingredient Pair | 25130191 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 177 entries
Ingredient ID: TCMC481
Formula: C20H28O4
Ingredient ID: TCMC481
| Common Name | 4-[(E)-2-[(1R,4As,5R,6R,8Ar)-6-Hydroxy-5-(Hydroxymethyl)-5,8A-Dimethyl-2-Methylidene-3,4,4A,6,7,8-Hexahydro-1H-Naphthalen-1-Yl]Ethenyl]-2H-Furan-5-One |
| IUPAC Name | 4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one |
| Canonical SMILES | OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2/C=C/C1=CCOC1=O)C |
| Standard InCHI | InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1 |
| Standard InCHIKey | XMJAJFVLHDIEHF-CRBRZBHVSA-N |
| External Identifiers | ChEMBL [CHEMBL361568]; PubChem [5708351]; |
| Reference of Component-Ingredient Pair | 29097170 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH298 | Andrographis paniculata | Chuan Xin Lian | 穿心莲 |
| TCMH299 | Andrographis paniculata | Chuan Xin Lian Gan Jin Gao | 穿心莲干浸膏 |
| TCMH300 | Andrographis paniculata | Chuan Xin Lian Jin Gao | 穿心莲浸膏 |
| TCMH302 | Andrographis paniculata | Chuan Xin Lian Nong Suo Ye | 穿心莲浓缩液 |
| TCMH303 | Andrographis herba | Chuan Xin Lian Ye | 穿心莲叶 |
Showing 1 to 5 of 5 entries
Ingredient ID: TCMC299
Formula: C19H18O7
Ingredient ID: TCMC299
| Common Name | 2-(3,4-Dimethoxyphenyl)-3-Hydroxy-5,7-Dimethoxychromen-4-One |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxychromen-4-one |
| Canonical SMILES | COc1cc(OC)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C19H18O7/c1-22-11-8-14(25-4)16-15(9-11)26-19(18(21)17(16)20)10-5-6-12(23-2)13(7-10)24-3/h5-9,21H,1-4H3 |
| Standard InCHIKey | AAASNKNLMQBKFV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL74675]; PubChem [97142]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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: TCMC1798
Formula: C16H12O5
Ingredient ID: TCMC1798
| Common Name | Oroxylin A |
| IUPAC Name | 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one |
| Canonical SMILES | COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccccc1 |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3 |
| Standard InCHIKey | LKOJGSWUMISDOF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL183513]; PubChem [5320315]; |
| Reference of Component-Ingredient Pair | 1608273 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| 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 |
| TCMH2232 | Scutellaria amoena | Xi Nan Huang Qin | 西南黄芩 |
| TCMH303 | Andrographis herba | Chuan Xin Lian Ye | 穿心莲叶 |
| TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
| TCMH525 | Eucommia ulmoides | Du Zhong Tan | 杜仲炭 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC1159
Formula: C10H12O2
Ingredient ID: TCMC1159
| Common Name | Eugenol |
| IUPAC Name | 2-methoxy-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 |
| Standard InCHIKey | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL42710]; PubChem [3314]; |
| Reference of Component-Ingredient Pair | 29191726 |
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 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| 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 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
Showing 1 to 10 of 140 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1159 | C10H12O2 | Eugenol | 164.08 | 0.5166 | 2.34 | 2.484 | 0 | 1 | 29.46 | 5 | 1 | 12 | 0 |
| TCMC1798 | C16H12O5 | Oroxylin A | 284.07 | -1.476 | 2.67 | 2.719 | 1 | 2 | 75.99 | 5 | 3 | 21 | 0 |
| TCMC2237 | C16H12O5 | Wogonin | 284.07 | -1.476 | 2.67 | 2.719 | 1 | 2 | 75.99 | 5 | 3 | 21 | 0 |
| TCMC299 | C19H18O7 | 2-(3,4-Dimethoxyphenyl)-3-Hydroxy-5,7-Dimethoxychromen-4-One | 358.11 | -1.1672 | 2.78 | 3.028 | 2 | 1 | 83.45 | 10 | 3 | 26 | 0 |
| TCMC481 | C20H28O4 | 4-[(E)-2-[(1R,4As,5R,6R,8Ar)-6-Hydroxy-5-(Hydroxymethyl)-5,8A-Dimethyl-2-Methylidene-3,4,4A,6,7,8-Hexahydro-1H-Naphthalen-1-Yl]Ethenyl]-2H-Furan-5-One | 332.2 | 0.7174 | 3.22 | 3.836 | 4 | 2 | 66.76 | 7 | 3 | 24 | 0 |
| TCMC847 | C9H8O4 | Caffeic Acid | 180.04 | -0.7993 | 2.01 | 1.141 | 2 | 3 | 77.76 | 5 | 1 | 13 | 0 |
| TCMC872 | C10H14O | Carvacrol | 150.1 | 0.7546 | 2.45 | 3.556 | 0 | 1 | 20.23 | 5 | 1 | 11 | 0 |
| TCMC897 | C16H18O9 | Chlorogenic Acid | 354.1 | -2.1962 | 2.23 | -0.447 | 7 | 6 | 164.75 | 11 | 2 | 25 | 1 |
Showing 1 to 8 of 8 entries
Download Data
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