Formononetin 7-O-glucoside-6''-O-malonate
基本情報
- CAS
34232-16-1- 標準SMILES
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1- InChIKey
RDTAGQKYPGLCBK-GOZZSVHWSA-N- 分子式
- C25H24O12
- 平均分子量
- 516.4 g/mol
- 単同位体質量
- 516.1267762
概要
Formononetin 7-O-glucoside-6''-O-malonate is a glycosyloxyisoflavone that is formononetin attached to a 6-O-(carboxyacetyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a member of 4'-methoxyisoflavones, a malonate ester, a monosaccharide derivative and a glycosyloxyisoflavone. It is functionally related to a formononetin.
名称と識別子
- 優先名称
- Formononetin 7-O-glucoside-6''-O-malonate
- IUPAC
- 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
名称と別名
Formononetin 7-O-glucoside-6''-O-malonateCHEBI:803893-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid3-oxo-3-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-(4-methoxyphenyl)-4-oxochromen-7-yl)oxyoxan-2-yl)methoxy)propanoic acidRefChem:10855413-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranosideFormononetin 7-O-?-D-Glucoside 6''-O-malonateFormononetin 7-O-(6''-malonylglucoside)Formononetin 7-O-glucoside-6''-malonate6'-Malonyl Ononin6''-O-malonylononinononin-6''-O-malonate
名称をさらに表示
CHEMBL3426808DTXSID801259044LMPK120500203-(4-Methoxyphenyl)-7-[6-O-(1-oxo-2-carboxyethyl)-beta-D-glucopyranosyloxy]-4H-1-benzopyran-4-oneformononetin-7-O-glycoside-6''-O-malonateFormononetin 7-O-(6-O-malonyl-beta-D-glucoside)formononetin 7-O-beta-D-glucoside-6''-O-malonateformononetin 7-O-beta-D-glycoside-6''-O-malonate
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 178 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 12
- 回転可能結合数
- 9
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 866
実験および物理化学的性質
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…