5,7,3'-Trihydroxy-2',2'-dimethyl-3',4'-dihydro-2'H-[3,6']bichromenyl-4-one

• 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: 5,7,3'-Trihydroxy-2',2'-dimethyl-3',4'-dihydro-2'H-[3,6']bichromenyl-4-one
• 英文别名: 5,7-Dihydroxy-3-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one
• 化学式: C₂₀H₁₈O₆
• 分子量: 354.359
• InChiKey: HUHGGORLMLOUCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  96.2
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 5,7,3'-Trihydroxy-2',2'-dimethyl-3',4'-dihydro-2'H-[3,6']bichromenyl-4-one 在 吡啶 作用下， 反应 12.0h， 以2 mg的产率得到Acetic acid 5,7-dihydroxy-2',2'-dimethyl-4-oxo-3',4'-dihydro-4H,2'H-[3,6']bichromenyl-3'-yl ester
  参考文献：
  名称：

  Two New Isoflavones from the Bark of Ficus microcarpa

  摘要：

  Two new isoflavones, ficuisoflavone (1) and isolupinisoflavone E (2), were isolated from the bark of Ficus microcarpa L.f.. Their structures were principally elucidated by spectral methods.

  DOI：

  10.1021/np960683p

文献信息

• Two New Isoflavones from the Bark of <i>Ficus microcarpa</i>
  作者：Yen-Cheng Li、Yueh-Hsiung Kuo

  DOI：10.1021/np960683p

  日期：1997.3.1

  Two new isoflavones, ficuisoflavone (1) and isolupinisoflavone E (2), were isolated from the bark of Ficus microcarpa L.f.. Their structures were principally elucidated by spectral methods.