avarol-4'-thiolactic acid | 1092480-11-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: avarol-4'-thiolactic acid
• 英文别名: Avarol-4'-thiolactate；2-[4-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2,5-dihydroxyphenyl]sulfanylpropanoic acid
• CAS: 1092480-11-9
• 化学式: C₂₄H₃₄O₄S
• 分子量: 418.598
• InChiKey: YZEHAXFXYPNXOJ-PPQGPNMSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  阿瓦醌 、 硫代乳酸 以 乙醇 为溶剂， 反应 3.0h， 以8%的产率得到avarol-3'-thiolactic acid
  参考文献：
  名称：

  Synthesis and Biological Activities of Thio-avarol Derivatives

  摘要：

  Eleven new thio-avarol derivatives (3-13) were synthesized. Their antimicrobial, brine shrimp lethality, and free-radical scavenging activities and acetylcholinesterase inhibition, together with 12 already reported semisynthetic thioavarol derivatives (14-25), were evaluated. Structure-activity relationships among these thio derivatives were determined.

  DOI：

  10.1021/np800318m