Quercetin 3-(2-galloylglucoside) (BioDeep_00000270673)

PANOMIX_OTCML-2023

代谢物信息卡片

2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

化学式: C28H24O16 (616.1064304)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 5.26%

分子结构信息

SMILES: c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O
InChI: InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2

描述信息

同义名列表

5 个代谢物同义名

Quercetin 3-(2-galloylglucoside); 2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate; Quercetin 3-(2''-galloylglucoside); 2- (3,4-Dihydroxyphenyl) -5,7-dihydroxy-3- (2-O-galloyl-beta-D-glucopyranosyloxy) -4H-1-benzopyran-4-one; Quercetin 3- (2"-galloylglucoside)

数据库引用编号

9 个数据库交叉引用编号

ChEBI: CHEBI:176235
PubChem: 13889202
PubChem: 5480249
Metlin: METLIN92290
Metlin: METLIN50556
LipidMAPS: LMPK12112140
KNApSAcK: C00005957
CAS: 69624-79-9
Flavonoid: FL5FACGL0055

分类词条

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

24 个相关的物种来源信息

526197 Euphorbia lunulata: 10.1248/CPB.53.305
430754 Persicaria lapathifolia:
375272 Pimenta dioica: 10.1021/NP0705615
1849387 Geranium finitimum: 10.1016/S0031-9422(00)00367-8
580470 Persicaria decipiens: 10.1021/NP9900674
254780 Persicaria amphibia: 10.1021/NP9900674
154990 Euphorbia helioscopia: 10.1016/S0040-4039(01)82270-X
756633 Euphorbia seguieriana: 10.1016/S0040-4039(01)82270-X
212301 Euphorbia humifusa: 10.1016/S0040-4039(01)82270-X
216479 Euphorbia maculata: 10.1016/S0040-4039(01)82270-X
1130038 Euphorbia virosa: 10.1016/S0040-4039(01)82270-X
471708 Persicaria senegalensis: 10.1016/0031-9422(80)83212-2
526197 Euphorbia lunulata: 10.1248/CPB.53.305
430754 Persicaria lapathifolia:
375272 Pimenta dioica: 10.1021/NP0705615
1849387 Geranium finitimum: 10.1016/S0031-9422(00)00367-8
580470 Persicaria decipiens: 10.1021/NP9900674
254780 Persicaria amphibia: 10.1021/NP9900674
154990 Euphorbia helioscopia: 10.1016/S0040-4039(01)82270-X
756633 Euphorbia seguieriana: 10.1016/S0040-4039(01)82270-X
212301 Euphorbia humifusa: 10.1016/S0040-4039(01)82270-X
216479 Euphorbia maculata: 10.1016/S0040-4039(01)82270-X
1130038 Euphorbia virosa: 10.1016/S0040-4039(01)82270-X
471708 Persicaria senegalensis: 10.1016/0031-9422(80)83212-2

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

文献列表

Komei Kato, Masayuki Ninomiya, Kaori Tanaka, Mamoru Koketsu. Effects of Functional Groups and Sugar Composition of Quercetin Derivatives on Their Radical Scavenging Properties. Journal of natural products. 2016 07; 79(7):1808-14. doi: 10.1021/acs.jnatprod.6b00274. [PMID: 27314621]
Bui Thi Thuy Luyen, Bui Huu Tai, Nguyen Phuong Thao, Kim Ji Eun, Ji Yun Cha, Ming Jie Xin, Young Mi Lee, Young Ho Kim. Anti-inflammatory components of Euphorbia humifusa Willd. Bioorganic & medicinal chemistry letters. 2014 Apr; 24(8):1895-900. doi: 10.1016/j.bmcl.2014.03.014. [PMID: 24679441]
H J Kim, E R Woo, C G Shin, H Park. A new flavonol glycoside gallate ester from Acer okamotoanum and its inhibitory activity against human immunodeficiency virus-1 (HIV-1) integrase. Journal of natural products. 1998 Jan; 61(1):145-8. doi: 10.1021/np970171q. [PMID: 9461665]