isocryptomerin tetraacetate | 19825-54-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: isocryptomerin tetraacetate
• 英文别名: [4-[5-acetyloxy-6-[4-(5,7-diacetyloxy-4-oxochromen-2-yl)phenoxy]-7-methoxy-4-oxochromen-2-yl]phenyl] acetate
• CAS: 19825-54-8
• 化学式: C₃₉H₂₈O₁₄
• 分子量: 720.643
• InChiKey: BZDWSJSBVVKFSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  53
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  176
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  异柳杉双黄酮 、 乙酸酐 以 吡啶 为溶剂， 以50 mg的产率得到isocryptomerin tetraacetate
  参考文献：
  名称：

  Ansari, F. R.; Ansari, W. H.; Rahman, W., Journal of the Indian Chemical Society, 1985, vol. 62, # 5, p. 406 - 408

  摘要：

  DOI：

文献信息

• Cytotoxic biflavonoids from Selaginella willdenowii
  作者：Gloria L. Silva、Heebyung Chai、Mahabir P. Gupta、Norman R. Farnsworth、Geoffrey A. Cordell、John M. Pezzuto、Christopher W.W. Beecher、A. Douglas Kinghorn

  DOI：10.1016/0031-9422(95)00212-p

  日期：1995.9

  Bioactivity-guided fractionation of the leaves of Selaginella willdenowii afforded three known biflavones, 4',7''-di-O-methylamentoflavone, isocryptomerin and 7''-O-methylrobustaflavone, that were significantly cytotoxic against a panel of human cancer cell lines. Non-cytotoxic isolates were also obtained, namely, amentoflavone, bilobetin, robustaflavone and 2'',3''-dihydroisocryptomerin, a new dihydrobiflavone. The structure for the new biflavonoid was unambiguously assigned by a combination of spectroscopic methods.