2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-oxan-2-yl]chromen-4-one
基本情報
- CAS
70255-49-1- 標準SMILES
CC1OC(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O- InChIKey
GKLSYIMLZDYQBJ-UHFFFAOYSA-N- 分子式
- C27H28O14
- 平均分子量
- 576.5 g/mol
- 単同位体質量
- 576.14790556
概要
Maysin has been reported in Zea mays with data available.
名称と識別子
- 優先名称
- 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-oxan-2-yl]chromen-4-one
- IUPAC
- 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]chromen-4-one
名称と別名
orb1983363DTXSID809904702-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-oxan-2-yl]chromen-4-oneFlavone base + 4O, C-(dehydro-dHex)-dHexT739122,6-Anhydro-1-deoxy-5-O-(6-deoxy-|A-L-mannopyranosyl)-6-C-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-xylo-3-hexulose2,6-Anhydro-1-deoxy-5-O-(6-deoxy-a-L-mannopyranosyl)-6-C-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-xylo-3-hexulose, 9CI2,6-Anhydro-1-deoxy-5-O-(6-deoxyhexopyranosyl)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]hex-3-ulose3',4',5,7-Tetrahydroxy-6-[a-L-rhamnopyranosyl(1->2)-2,6-anhydro-1-deoxy-xylo-3-hexulopyranosyl]flavone
データベース識別子
- CAS
70255-49-1- PubChem CID
- 194340
- DTXSID
DTXSID80990470
物性
構造計算による物性
- XLogP
- -0.3
- 極性表面積
- 233 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 14
- 回転可能結合数
- 4
- 重原子数
- 41
- 形式電荷
- 0
- 複雑度
- 1,020
実験および物理化学的性質
Melting Point225 °C
Physical DescriptionSolid
化学と産業
薬理情報
Cellular LocationsCytoplasm
関連反応
0 件
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化合物ノート
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