8-Hydroxy-1,2,6-trimethoxy-5-(3-methyl-but-2-enyl)-xanthen-9-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 8-Hydroxy-1,2,6-trimethoxy-5-(3-methyl-but-2-enyl)-xanthen-9-one
• 英文别名: 8-Hydroxy-1,2,6-trimethoxy-5-(3-methylbut-2-enyl)xanthen-9-one
• 化学式: C₂₁H₂₂O₆
• 分子量: 370.402
• InChiKey: KVJGUAPUDHKYNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,2,6-Trimethoxy-8-(3-methyl-but-2-enyloxy)-xanthen-9-one 在 N,N-二乙基苯胺 作用下， 反应 4.0h， 以18%的产率得到2-(1,1-Dimethyl-allyl)-1-hydroxy-3,7,8-trimethoxy-xanthen-9-one
  参考文献：
  名称：

  Prenylated xanthones as potential P-glycoprotein modulators

  摘要：

  Dimethylallyl (DMA) derivatives of a naturally occurring xanthone (decussatin 1) were prepared. Their activity as potential P-glycoprotein inhibitors was monitored by affinity of direct binding and compared to that of corresponding DMA-flavones. Both classes of compounds exhibited the same structure-activity relationships. Decreasing polarity enhanced the binding affinity for the P-glycoprotein C-terminal cytosolic domain since DMA derivatives were more active, bur, unsubstituted hydroxyl group close to the carbonyl was required for efficient activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00234-1