4',7-didecyloxy-5-hydroxygenistein

• 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: 4',7-didecyloxy-5-hydroxygenistein
• 英文别名: 4',7-Didecyloxy-5-hydroxygenistein；7-decoxy-3-(4-decoxyphenyl)-5-hydroxychromen-4-one
• 化学式: C₃₅H₅₀O₅
• 分子量: 550.779
• InChiKey: QSHXUEGMXLRSGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  40
• 可旋转键数：
  21
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  染料木素 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以73.3%的产率得到4',7-didecyloxy-5-hydroxygenistein
  参考文献：
  名称：

  Synthesis and cytotoxic activity of genistein derivatives

  摘要：

  A series of genistein derivatives was prepared and tested in vitro against leukocythemia (HL-60), colorectal adenocarcinoma (HT-29), and human gastric adenocarcinoma (SGC-7901) cell lines. Among these derivatives, 4',5-di-n-octoxy-7-gem-difluoromethylenegenistein, 9f, had the strongest activity against HL-60, HT-29, and SGC-7901 cells.

  DOI：

  10.1007/s00044-009-9271-z

文献信息

• Synthesis and cytotoxic activity of genistein derivatives
  作者：Xing Zheng、Xu Yao、Yunmei Liu、Zitong Zheng、Jianguo Cao、Duanfang Liao

  DOI：10.1007/s00044-009-9271-z

  日期：2010.12

  A series of genistein derivatives was prepared and tested in vitro against leukocythemia (HL-60), colorectal adenocarcinoma (HT-29), and human gastric adenocarcinoma (SGC-7901) cell lines. Among these derivatives, 4',5-di-n-octoxy-7-gem-difluoromethylenegenistein, 9f, had the strongest activity against HL-60, HT-29, and SGC-7901 cells.