8-(1,1-dimethylallyl)genistein

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 8-(1,1-dimethylallyl)genistein
• 英文别名: 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylbut-3-en-2-yl)chromen-4-one
• 化学式: C₂₀H₁₈O₅
• 分子量: 338.36
• InChiKey: PONIGBFVAFAGSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  染料木素 在 sodium acetate 、 乙酸酐 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 52.0h， 生成 8-(1,1-dimethylallyl)genistein
  参考文献：
  名称：

  Prenylated flavonoids from Moghania philippinensis

  摘要：

  Five prenylated flavonoids, 8-(1,1-dimethylallyl)genistein (1), 5,7,3',4'-tetrahydroxy-2,5'-di(3-methylbut-2-enyl)isoflavone (2), 5,7,3'-trihydroxy-2'-(3-methylbut-2-enyl)-4',5'-(3,3-dimethylpyrano)isoflavone (3), (2R)-5,2',4'-trihydroxy-8,5'-di(3-methylbut-2-enyl)-6,7-(3,3-dimethylpyrano)flavanone (4a) and (2S)-5, 2', 4'-trihydroxy-8,5'-di(3-methylbut-2-enyl)-6,7-(3,3-dimethylpyrano)-flavanone (4b), were isolated from the roots of Moghania philippinensis. The structures of these compounds were determined on the basis of spectroscopic and chemical means. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2003.09.003

文献信息

• Prenylated flavonoids from Moghania philippinensis
  作者：Eun-Mi Ahn、Norio Nakamura、Teruaki Akao、Katsuko Komatsu、Ming-Hua Qui、Massao Hattori

  DOI：10.1016/j.phytochem.2003.09.003

  日期：2003.12

  Five prenylated flavonoids, 8-(1,1-dimethylallyl)genistein (1), 5,7,3',4'-tetrahydroxy-2,5'-di(3-methylbut-2-enyl)isoflavone (2), 5,7,3'-trihydroxy-2'-(3-methylbut-2-enyl)-4',5'-(3,3-dimethylpyrano)isoflavone (3), (2R)-5,2',4'-trihydroxy-8,5'-di(3-methylbut-2-enyl)-6,7-(3,3-dimethylpyrano)flavanone (4a) and (2S)-5, 2', 4'-trihydroxy-8,5'-di(3-methylbut-2-enyl)-6,7-(3,3-dimethylpyrano)-flavanone (4b), were isolated from the roots of Moghania philippinensis. The structures of these compounds were determined on the basis of spectroscopic and chemical means. (C) 2003 Elsevier Ltd. All rights reserved.