Description of the Component
Component ID |
TCMH185 |
Latin Name |
Phyllanthus niruri |
English Name |
Gale of the wind |
Chinese Pinyin Name |
Bing Tang Cao |
中文名 |
冰糖草 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
GENG816-14, GBVH3468-11 |
Barcode Source |
BOLDSYSTEMS |
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT223 | AKR1B1 | Aldose reductase | Oxidoreductase | P15121 |
| TCMT605 | EDNRA | Endothelin receptor ET-A | GPCR | P25101 |
Showing 1 to 2 of 2 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1294 | Human parainfluenza virus 3 |
| TCMT1438 | Plasmodium falciparum |
| TCMT1447 | Respiratory syncytial virus |
Showing 1 to 3 of 3 entries
Ingredient Structrues
Ingredient ID: TCMC795
Formula: C13H16O10
Ingredient ID: TCMC795
| Common Name | Beta-Glucogallin |
| IUPAC Name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1 |
| Standard InCHIKey | GDVRUDXLQBVIKP-HQHREHCSSA-N |
| External Identifiers | ChEMBL [CHEMBL480283]; PubChem [124021]; |
| Reference of Component-Ingredient Pair | 19526787 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1525 | Crassostrea gigas | Mu Li | 牡蛎 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1682 | Artemisia carvifolia | Qing Hao Zi | 青蒿子 |
| TCMH185 | Phyllanthus niruri | Bing Tang Cao | 冰糖草 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC2778
Formula: C27H22O18
Ingredient ID: TCMC2778
| Common Name | 1-O-Galloyl-6-O-Luteoyl-Alpha-D-Glucose |
| IUPAC Name | [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,8,9,10-pentahydroxy-6-oxobenzo[c]chromene-1-carboxylate |
| Canonical SMILES | O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(c3c2c2c(O)c(O)c(cc2c(=O)o3)O)O)O[C@@H]([C@@H]1O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)21(37)19(35)13(43-27)5-42-25(40)8-4-12(31)18(34)23-15(8)14-7(26(41)44-23)3-11(30)17(33)20(14)36/h1-4,13,19,21-22,27-38H,5H2/t13-,19-,21+,22-,27-/m1/s1 |
| Standard InCHIKey | WXECVBMGZXQIIU-KFJNVFKXSA-N |
| External Identifiers | ChEMBL [CHEMBL447617]; PubChem [11296628]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2614
Formula: C26H28O16
Ingredient ID: TCMC2614
| Common Name | Quercetin 3-O-Sambubioside |
| IUPAC Name | 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1 |
| Standard InCHIKey | NKFZLEYLWAFYEH-CJNLAGEVSA-N |
| External Identifiers | ChEMBL [CHEMBL455758]; PubChem [5487635]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1615 | Eriobotrya japonica | Pi Ba Ren | 枇杷仁 |
| TCMH185 | Phyllanthus niruri | Bing Tang Cao | 冰糖草 |
| TCMH2081 | Actinidia arguta | Teng Li Gen | 藤梨根 |
| TCMH2098 | Saussurea involucrata | Tian Shan Xue Lian Hua | 天山雪莲花 |
| TCMH2351 | Saussurea involucrata | Xue Lian | 雪莲 |
| TCMH2352 | Saussurea involucrata | Xue Lian Hua | 雪莲花 |
| TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
| TCMH525 | Eucommia ulmoides | Du Zhong Tan | 杜仲炭 |
| TCMH526 | Eucommia ulmoides | Du Zhong Ye | 杜仲叶 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1571
Formula: C14H10O8
Ingredient ID: TCMC1571
| Common Name | Methylbrevifolin Carboxylate |
| IUPAC Name | methyl 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate |
| Canonical SMILES | COC(=O)C1CC(=O)c2c1c1c(O)c(O)c(cc1c(=O)o2)O |
| Standard InCHI | InChI=1S/C14H10O8/c1-21-13(19)5-3-7(16)12-9(5)8-4(14(20)22-12)2-6(15)10(17)11(8)18/h2,5,15,17-18H,3H2,1H3 |
| Standard InCHIKey | JNWDNAASYHRXMG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL567076]; PubChem [5319518]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
| TCMH185 | Phyllanthus niruri | Bing Tang Cao | 冰糖草 |
| TCMH2465 | Phyllanthus urinaria | Ye Xia Zhu | 叶下珠 |
| TCMH2607 | Phyllanthus urinaria | Zhen Zhu Cao | 珍珠草 |
| TCMH454 | Euphorbia humifusa | Di Jin Cao | 地锦草 |
| TCMH457 | Euphorbia humifusa | Di Mian Cao | 地绵草 |
Showing 1 to 6 of 6 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1571 | C14H10O8 | Methylbrevifolin Carboxylate | 306.04 | -2.0091 | 2.12 | -0.92 | 5 | 3 | 130.36 | 6 | 3 | 22 | 0 |
| TCMC2614 | C26H28O16 | Quercetin 3-O-Sambubioside | 596.14 | -6.1283 | 2.56 | -1.648 | 11 | 10 | 265.52 | 16 | 5 | 42 | 2 |
| TCMC2778 | C27H22O18 | 1-O-Galloyl-6-O-Luteoyl-Alpha-D-Glucose | 634.08 | -5.5485 | 2.45 | -1.35 | 9 | 11 | 310.66 | 18 | 5 | 45 | 1 |
| TCMC795 | C13H16O10 | Beta-Glucogallin | 332.07 | -3.5251 | 1.79 | -1.304 | 7 | 7 | 177.14 | 11 | 2 | 23 | 1 |
Showing 1 to 4 of 4 entries
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