Description of the Component
Component ID |
TCMH2590 |
Latin Name |
Pinellia pedatisecta |
English Name |
Pedate pinellia |
Chinese Pinyin Name |
Zhang Ye Ban Xia |
中文名 |
掌叶半夏 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
For desolving phlegm, stopping cougth, and soothing breathing |
Therapeutic Class Chinese |
化痰止咳平喘 |
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
GBVT1142-13, GBVT1226-13 |
Barcode Source |
BOLDSYSTEMS |
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT151 | PRKCA | Protein kinase C alpha | Kinase | P17252 |
| TCMT195 | MAP2K1 | Dual specificity mitogen-activated protein kinase kinase 1 | Kinase | Q02750 |
| TCMT265 | GSK3B | Glycogen synthase kinase-3 beta | Kinase | P49841 |
| TCMT295 | MMP1 | Matrix metalloproteinase-1 | Hydrolase | P03956 |
| TCMT296 | ADORA1 | Adenosine A1 receptor | GPCR | P30542 |
| TCMT306 | MMP2 | Matrix metalloproteinase-2 | Hydrolase | P08253 |
| TCMT320 | MMP3 | Matrix metalloproteinase 3 | Hydrolase | P08254 |
| TCMT321 | MMP9 | Matrix metalloproteinase 9 | Hydrolase | P14780 |
Showing 1 to 10 of 25 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1218 | Staphylococcus aureus |
| TCMT1246 | Escherichia coli |
| TCMT1438 | Plasmodium falciparum |
Showing 1 to 3 of 3 entries
Ingredient Structrues
Ingredient ID: TCMC632
Formula: C10H13N5O4
Ingredient ID: TCMC632
| Common Name | Adenosine |
| IUPAC Name | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N |
| Standard InCHI | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 |
| Standard InCHIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N |
| External Identifiers | ChEMBL [CHEMBL477]; PubChem [60961]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1177 | Ilex cornuta | Ju Gu Ye | 枸骨叶 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Showing 1 to 10 of 96 entries
Ingredient ID: TCMC631
Formula: C5H5N5
Ingredient ID: TCMC631
| Common Name | Adenine |
| IUPAC Name | 7H-purin-6-amine |
| Canonical SMILES | Nc1nc[nH]c2c1ncn2 |
| Standard InCHI | InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) |
| Standard InCHIKey | GFFGJBXGBJISGV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL226345]; PubChem [190]; |
| Reference of Component-Ingredient Pair | 24211769 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC2399
Formula: C14H21N3O6S
Ingredient ID: TCMC2399
| Common Name | Adicillin |
| IUPAC Name | (2S,5R,6R)-6-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Canonical SMILES | OC(=N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)CCC[C@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8-,9+,11-/m1/s1 |
| Standard InCHIKey | MIFYHUACUWQUKT-GPUHXXMPSA-N |
| External Identifiers | ChEMBL [CHEMBL2023705]; PubChem [71724]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2346
Formula: C33H50O8
Ingredient ID: TCMC2346
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CC(=O)O[C@H]1C[C@]2([C@H](/C/1=C(/C(=O)O)CCC=C(C)C)CC[C@@H]1[C@]2(C)[C@@H](OC(=O)C)[C@H](O)[C@@H]2[C@]1(C)CC[C@H]([C@H]2C)O)C |
| Standard InCHI | InChI=1S/C33H50O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(37)29(41-20(5)35)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,18,22-25,27-29,36-37H,9,11-16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,23-,24+,25+,27-,28-,29+,31-,32+,33-/m1/s1 |
| Standard InCHIKey | GDJVSKALKNUTRX-VALXSNPUSA-N |
| External Identifiers | ChEMBL [CHEMBL3401950]; PubChem [N/A]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2190
Formula: C7H7NO2
Ingredient ID: TCMC2190
| Common Name | Trigonelline |
| IUPAC Name | 1-methylpyridin-1-ium-3-carboxylate |
| Canonical SMILES | C[n+]1cccc(c1)C(=O)[O-] |
| Standard InCHI | InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 |
| Standard InCHIKey | WWNNZCOKKKDOPX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL350675]; PubChem [5570]; |
| Reference of Component-Ingredient Pair | 20567778 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1539 | Cucurbita moschata | Nan Gua | 南瓜 |
| TCMH1669 | Radix solani melongenae | Qie Gen | 茄根 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC1358
Formula: C5H4N4O
Ingredient ID: TCMC1358
| Common Name | Hypoxanthine |
| IUPAC Name | 3,7-dihydropurin-6-one |
| Canonical SMILES | Oc1ncnc2c1nc[nH]2 |
| Standard InCHI | InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) |
| Standard InCHIKey | FDGQSTZJBFJUBT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1427]; PubChem [790]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1966 | Rehmannia glutinosa | Shu Di Huang | 熟地黄 |
| TCMH2590 | Pinellia pedatisecta | Zhang Ye Ban Xia | 掌叶半夏 |
| TCMH2703 | Fritillaria unibracteata | Zi Bei Mu | 紫贝母 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 10 of 18 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1358 | C5H4N4O | Hypoxanthine | 136.04 | -0.8807 | 1.46 | -0.597 | 4 | 2 | 74.69 | 1 | 2 | 10 | 0 |
| TCMC2190 | C7H7NO2 | Trigonelline | 137.05 | -2.2592 | 1.9 | 0.283 | 2 | 0 | 44.01 | 3 | 1 | 10 | 0 |
| TCMC2346 | C33H50O8 | 574.35 | 1.4283 | 4.21 | 5.403 | 8 | 3 | 130.36 | 19 | 4 | 41 | 1 | |
| TCMC2399 | C14H21N3O6S | Adicillin | 359.12 | -1.6415 | 1.9 | -3.197 | 9 | 4 | 178.82 | 13 | 2 | 24 | 0 |
| TCMC631 | C5H5N5 | Adenine | 135.05 | -1.1703 | 1.46 | -0.664 | 5 | 2 | 80.48 | 1 | 2 | 10 | 0 |
| TCMC632 | C10H13N5O4 | Adenosine | 267.1 | -2.2791 | 1.57 | -1.809 | 9 | 4 | 139.54 | 6 | 3 | 19 | 0 |
Showing 1 to 6 of 6 entries
Download Data
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