Tovophyllin A

• 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: Tovophyllin A
• 英文别名: 5,9,11-trihydroxy-3,3-dimethyl-6,10-bis(3-methylbut-2-enyl)pyrano[3,2-a]xanthen-12-one
• 化学式: C₂₈H₃₀O₆
• 分子量: 462.5
• InChiKey: ADFJMFQSYNRLEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  96.2
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Compositions from Garcinia as Aromatase Inhibitors for Breast Cancer Chemoprevention and Chemotherapy
  申请人：Balunas Marcy J.

  公开号：US20090181110A1

  公开（公告）日：2009-07-16

  Aromatase inhibitors (AIs) are disclosed which are useful in the treatment and prevention of post-menopausal breast cancer. New AIs derived from natural products are disclosed that are evaluated for clinical utility for treating post-menopausal breast cancer and may also act as chemopreventive agents for preventing breast cancer. Several pure compounds demonstrated AI activity using a noncellular, enzyme-based microsomal and a cell-based aromatase assay. Correlations are made between structural classes with levels of aromatase inhibition. The disclosure may be utilized to direct synthetic modification of natural product scaffolds to enhance aromatase inhibition or to standardize botanical dietary supplements for increased aromatase inhibition activity.