Emodin 8-glucoside (BioDeep_00000228554)

Main id: BioDeep_00000230214

 

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


1,6-dihydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione

化学式: C21H20O10 (432.105642)
中文名称: 大黄素8-葡萄糖苷
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=CC(O)=C2C(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O)C(=O)C2=C1
InChI: InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3

描述信息

Emodin 8-glucoside is a member of the class of compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. Emodin 8-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Emodin 8-glucoside can be found in garden rhubarb, which makes emodin 8-glucoside a potential biomarker for the consumption of this food product.
Emodin-8-glucoside is an anthraquinone derivative isolated from Aloe vera, binds to minor groove of DNA[1].
Emodin-8-glucoside is an anthraquinone derivative isolated from Aloe vera, binds to minor groove of DNA[1].

同义名列表

6 个代谢物同义名

1,6-dihydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione; 1,6-dihydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-9,10-dione; Emodin 8-O-β-D-glucoside; Emodin 8-glucoside; anthraglycoside B; Emodin-8-glucoside



数据库引用编号

5 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

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PlantCyc(0)

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)

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