Drupaninmonomethylether | 104358-46-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: Drupaninmonomethylether
• 英文别名: (E)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]acrylic acid；(E)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
• CAS: 104358-46-5
• 化学式: C₁₅H₁₈O₃
• 分子量: 246.306
• InChiKey: XWVOBHSSIJXKCV-RMKNXTFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl (E)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]acrylate 在 氢氧化钾 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以76%的产率得到Drupaninmonomethylether
  参考文献：
  名称：

  Structure−Antifungal Activity Relationship of Cinnamic Acid Derivatives

  摘要：

  A structure-antifungal activity relationship (SAR) study of 22 related cinnamic acid derivatives was carried out. Attention was focused on the antifungal activities exhibited against Aspergillus flavus, Aspergillus terreus, and Aspergillus niger. (E)-3-(4-Methoxy-3-(3-methylbut-2-enyl)phenyl)acrylic acid (16) exhibited antifungal activity against A. niger, comparable to that of miconazole and a significant antifungal effect against A. flavus and A. terreus as well. A structure-activity relationship (SAR) study of related cinnamic acid derivatives has allowed a model to be proposed for the recognition of the minimal structural requirements for the antifungal effect in this series.

  DOI：

  10.1021/jf0729098