Theasinensin F
基本情報
- CAS
116329-55-6- 標準SMILES
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)cc1-c1c([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1- InChIKey
JLFHSPGTENNODT-WLDZFSAMSA-N- 分子式
- C44H34O21
- 平均分子量
- 898.7 g/mol
- 単同位体質量
- 898.15925809
概要
Theasinensin F is a catechin.
名称と識別子
- 優先名称
- Theasinensin F
- IUPAC
- [(2R,3R)-2-[2-[6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-2,3,4-trihydroxyphenyl]-4,5-dihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
名称と別名
Theasinensin F[(2R,3R)-2-[2-[6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-2,3,4-trihydroxyphenyl]-4,5-dihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate((2R,3R)-2-(2-(6-((2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl)-2,3,4-trihydroxyphenyl)-4,5-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl) 3,4,5-trihydroxybenzoate(2R,3R)-2-(6'-((2S,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl)-2',3',4,4',5-pentahydroxy-(1,1'-biphenyl)-2-yl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid(2R,3R)-2-{6'-[(2S,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2',3',4,4',5-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acidRefChem:189141116329-55-6CHEMBL159692SCHEMBL7432622CHEBI:136612DTXSID701336451(4,4',5,5',6-Pentahydroxybiphenyl-2,2'-diyl)bis[(2R,3R)-5,7-dihydroxy-3,4-dihydro-2H-chromene-2,3-diyl] bis(3,4,5-trihydroxybenzoate)
名称をさらに表示
[(2R,3R)-2-[2-[6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-2-yl]-2,3,4-trihydroxy-phenyl]-4,5-dihydroxy-phenyl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 375 Ų
- 水素結合供与体数
- 15
- 水素結合受容体数
- 21
- 回転可能結合数
- 9
- 重原子数
- 65
- 形式電荷
- 0
- 複雑度
- 1,620
化学と産業
薬理情報
Cellular LocationsMembrane
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