Description of the Component
Component ID |
TCMH2298 |
Latin Name |
Cirsium arvense |
English Name |
Thistle |
Chinese Pinyin Name |
Xiao Ji Tan |
中文名 |
小蓟炭 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAO4094-14 |
Barcode Source |
BOLDSYSTEMS |
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
| 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 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
Showing 1 to 10 of 50 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1099 | Neuraminidase |
| TCMT1226 | Klebsiella pneumoniae |
| TCMT1232 | Pseudomonas aeruginosa |
| TCMT1246 | Escherichia coli |
| TCMT1251 | Candida albicans |
| TCMT1346 | Helicobacter pylori |
| TCMT1349 | Helicobacter pylori SS1 |
| TCMT1412 | Salmonella typhimurium |
| TCMT1438 | Plasmodium falciparum |
Showing 1 to 10 of 15 entries
Ingredient Structrues
Ingredient ID: TCMC982
Formula: C29H37NO5
Ingredient ID: TCMC982
| Common Name | Cytochalasin B |
| IUPAC Name | n.a. |
| Canonical SMILES | C[C@@H]1CCC[C@@H](O)/C=C/C(=O)O[C@@]23[C@@H](/C=C/C1)[C@H](O)C(=C)[C@H]([C@H]3[C@@H](N=C2O)Cc1ccccc1)C |
| Standard InCHI | InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1 |
| Standard InCHIKey | GBOGMAARMMDZGR-TYHYBEHESA-N |
| External Identifiers | ChEMBL [CHEMBL411729]; PubChem [5311281]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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: TCMC495
Formula: C7H6O2
Ingredient ID: TCMC495
| Common Name | 4-Hydroxybenzaldehyde |
| IUPAC Name | 4-hydroxybenzaldehyde |
| Canonical SMILES | O=Cc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H |
| Standard InCHIKey | RGHHSNMVTDWUBI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14193]; PubChem [126]; |
| Reference of Component-Ingredient Pair | 23266278 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1339 | Phragmites communis | Lu Gen | 芦根 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
Showing 1 to 10 of 50 entries
Ingredient ID: TCMC2290
Formula: C25H24O12
Ingredient ID: TCMC2290
| Common Name | Cynarin |
| IUPAC Name | (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid |
| Canonical SMILES | O=C(O[C@@H]1C[C@](OC(=O)/C=C/c2ccc(c(c2)O)O)(C[C@H]([C@@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 |
| Standard InCHIKey | YDDUMTOHNYZQPO-RVXRWRFUSA-N |
| External Identifiers | ChEMBL [CHEMBL487258]; PubChem [5281769]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH204 | Xanthium sibiricum | Cang Er | 苍耳 |
| TCMH205 | Xanthium sibiricum | Cang Er Cao | 苍耳草 |
| TCMH2098 | Saussurea involucrata | Tian Shan Xue Lian Hua | 天山雪莲花 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
Showing 1 to 10 of 16 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC2290 | C25H24O12 | Cynarin | 516.13 | -2.3865 | 2.89 | 1.514 | 8 | 7 | 211.28 | 16 | 3 | 37 | 1 |
| TCMC495 | C7H6O2 | 4-Hydroxybenzaldehyde | 122.04 | -0.6527 | 2.01 | 1.484 | 1 | 1 | 37.3 | 2 | 1 | 9 | 0 |
| TCMC710 | C15H10O5 | Apigenin | 270.05 | -1.8845 | 2.56 | 1.567 | 1 | 3 | 86.99 | 4 | 3 | 20 | 0 |
| TCMC982 | C29H37NO5 | Cytochalasin B | 479.27 | -0.8417 | 3.99 | 6.449 | 6 | 3 | 99.35 | 7 | 4 | 35 | 1 |
Showing 1 to 4 of 4 entries
Download Data
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