基本情報
- CAS
20136-67-8- 標準SMILES
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2- InChIKey
MNKQAVLCMUQMSD-UHFFFAOYSA-N- 分子式
- C30H26O14
- 平均分子量
- 610.5 g/mol
- 単同位体質量
- 610.1322555
概要
Prodelphiniline has been reported in Pilea cadierei, Ribes maximowiczianum, and other organisms with data available.
名称と識別子
- 優先名称
- Prodelphiniline
- IUPAC
- 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-3,4,5,7-tetrol
名称と別名
ProdelphinilineNSC14310120136-67-8NSC 1431012-((2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl)oxy)-2-(3,4,5-trihydroxyphenyl)chromane-3,4,5,7-tetrol2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-3,4,5,7-tetrolProdelphinidineNSC-1431012-{[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromane-3,4,5,7-tetrol2-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-3,4,5,7-chromanetetrolCHEMBL1996865SCHEMBL13772048
名称をさらに表示
SCHEMBL29410606DTXSID10942169NCI60_0009472-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromane-3,4,5,7-tetrol2-{[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol
データベース識別子
物性
構造計算による物性
- XLogP
- 1.6
- 極性表面積
- 250 Ų
- 水素結合供与体数
- 11
- 水素結合受容体数
- 14
- 回転可能結合数
- 4
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 977
関連反応
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