(3R,5S)-3,5-dihydroxy-1-(4'-hydroxy-3',5'-dimethoxyphenyl)-7-(4''-hydroxyphenyl)heptane

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (3R,5S)-3,5-dihydroxy-1-(4'-hydroxy-3',5'-dimethoxyphenyl)-7-(4''-hydroxyphenyl)heptane
• 英文别名: (3R,5S)-3,5-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxyphenyl)heptane；3,5-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxyphenyl)heptane；Diarylcomosol III；(3R,5S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-diol
• 化学式: C₂₁H₂₈O₆
• 分子量: 376.45
• InChiKey: OJGXSPXNGOVDNO-ZWKOTPCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  99.4
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (3R,5S)-3,5-dihydroxy-1-(4'-hydroxy-3',5'-dimethoxyphenyl)-7-(4''-hydroxyphenyl)heptane 、 2,2-二甲氧基丙烷 在 4-甲基苯磺酸吡啶 作用下， 以 丙酮 为溶剂， 反应 1.0h， 以55%的产率得到
  参考文献：
  名称：

  Constituents from the Rhizomes of Curcuma comosa and Their Wnt Signal Inhibitory Activities

  摘要：

  Activity-guided fractionation of the Curcuma comosa rhizome MeOH extract that inhibited Wnt signal activity led to the characterization of two new diarylheptanoids (1 and 2) together with six known diarylheptanoids (3-8) and two known sesquiterpenoids (9 and 10). Their structures were identified by 1D and 2D NMR, HRESIMS, optical rotation, and chemical evidences. Compounds 1 and 8 exhibited dose-dependent inhibitory activity against beta-catenin/TCF transcriptional activity.

  DOI：

  10.3987/com-13-s(s)49

文献信息

• Constituents from the Rhizomes of Curcuma comosa and Their Wnt Signal Inhibitory Activities
  作者：Masami Ishibashi、Rolly G. Fuentes、Kazufumi Toume、Midori A. Arai、Takashi Koyano、Thaworn Kowithayakorn

  DOI：10.3987/com-13-s(s)49

  日期：——

  Activity-guided fractionation of the Curcuma comosa rhizome MeOH extract that inhibited Wnt signal activity led to the characterization of two new diarylheptanoids (1 and 2) together with six known diarylheptanoids (3-8) and two known sesquiterpenoids (9 and 10). Their structures were identified by 1D and 2D NMR, HRESIMS, optical rotation, and chemical evidences. Compounds 1 and 8 exhibited dose-dependent inhibitory activity against beta-catenin/TCF transcriptional activity.