Isoorientin 7,3'-dimethyl ether
基本情報
- CAS
74198-15-5- 標準SMILES
COc1cc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)ccc1O- InChIKey
JCIFZANQIXZLGH-QJLVSEQISA-N- 分子式
- C23H24O11
- 平均分子量
- 476.4 g/mol
- 単同位体質量
- 476.13186158
概要
Isoorientin 7,3'-dimethyl ether is a tetrahydroxyflavone that is isoorientin in which the phenolic hydrogens at positions 3' and 7 have been replaced by methyl groups. It has a role as a plant metabolite. It is a dimethoxyflavone, a polyphenol, a dihydroxyflavone and a flavone C-glycoside. It is functionally related to an isoorientin.
名称と識別子
- 優先名称
- Isoorientin 7,3'-dimethyl ether
- IUPAC
- 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
名称と別名
Isoorientin 7,3'-dimethyl etherCHEBI:13179274198-15-5(1S)-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one(1S)-1,5-anhydro-1-(5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-6-yl)-D-glucitol5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-oneRefChem:1496786-b-D-Glucopyranosyl-4',5-dihydroxy-3',7-dimethoxyflavone7,3'-Dimethoxyluteolin-6-C-b-glucoside
名称をさらに表示
7,3'-Dimethoxyluteolin-6-C-I2-glucoside7,3'-Dimethoxyluteolin-6-C-b-D-glucoside7,3'-Dimethoxyluteolin-6-C-I2-D-glucoside7,3'-Dimethoxyluteolin-6-C-b-D-glucopyranoside7,3'-Dimethoxyluteolin-6-C-I2-D-glucopyranoside7,3'-Di-O-methylisoorientin6-beta-D-Glucopyranosyl-4',5-dihydroxy-3',7-dimethoxyflavoneisoorientin 3',7-dimethyl ether
物性
構造計算による物性
- XLogP
- 0.5
- 極性表面積
- 175 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 11
- 回転可能結合数
- 5
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 759
実験および物理化学的性質
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
関連反応
0 件
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化合物ノート
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