5,5',7-trihydroxy-2',2'-dimethyl-2,3,3',4'-tetrahydro-2'H,4H-3,8'-bichromen-4-one
基本情報
- 標準SMILES
CC1(C)CCc2c(O)ccc(C3COc4cc(O)cc(O)c4C3=O)c2O1- InChIKey
QYZNGBWQHYNRBM-UHFFFAOYSA-N- 分子式
- C20H20O6
- 平均分子量
- 356.4 g/mol
- 単同位体質量
- 356.12598836
概要
Glyasperin F is a member of the class of 7-hydroxyisoflavones that consists of 2,3,3',4'-tetrahydro-2'H,4H-3,8'-bichromen-4-one substituted by hydroxy groups at positions 5, 5' and 7 and methyl groups at positions 2' and 2'. It has been isolated from Glycyrrhiza uralensis. It has a role as a plant metabolite.
名称と識別子
- 優先名称
- 5,5',7-trihydroxy-2',2'-dimethyl-2,3,3',4'-tetrahydro-2'H,4H-3,8'-bichromen-4-one
- IUPAC
- 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,3-dihydrochromen-4-one
名称と別名
5,5',7-trihydroxy-2',2'-dimethyl-2,3,3',4'-tetrahydro-2'H,4H-3,8'-bichromen-4-oneRefChem:9358265,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,3-dihydrochromen-4-oneCHEBI:69092Q27137433
データベース識別子
- ChEBI
CHEBI:69092
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 96.2 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 6
- 回転可能結合数
- 1
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 548
関連反応
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