methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate

• 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: methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate
• 化学式: C₃₉H₄₆O₈
• 分子量: 642.8
• InChiKey: MFUIGIDUBRLELJ-UCQKPKSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  47
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Derivatives of gambogic acid and analogs as activators of caspases and inducers of apoptosis
  申请人：Cai Xiong Sui

  公开号：US20070093456A1

  公开（公告）日：2007-04-26

  The present invention is directed to novel derivatives of gambogic acid and analogs thereof. The present invention also relates to the discovery that novel derivatives of gambogic acid are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention can be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及新的甘黄酸衍生物及其类似物。本发明还涉及发现，新的甘黄酸衍生物是半胱氨酸蛋白酶的激活剂和凋亡诱导剂。因此，本发明的半胱氨酸蛋白酶激活剂和凋亡诱导剂可用于诱导细胞死亡，在各种临床病况中，异常细胞的无序生长和传播。
• US7622497B2
  申请人：——

  公开号：US7622497B2

  公开（公告）日：2009-11-24