Dodecanoic acid, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester, [1aR-(1aalpha,2alpha,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha)]-

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Dodecanoic acid, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester, [1aR-(1aalpha,2alpha,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha)]-
• 英文别名: [5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] dodecanoate
• 化学式: C₃₂H₅₀O₆
• 分子量: 530.7
• InChiKey: MWQPYNGJFUYTQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Ingenol Derivatives in the Reactivation of Latent HIV
  申请人：AMAZÔNIA FITOMEDICAMENTOS LTDA.

  公开号：US20150030638A1

  公开（公告）日：2015-01-29

  The present invention broadly relates to the use of certain ingenol derivatives as HIV reactivators of latent HIV virus in viral reservoirs. In another aspect, the present invention relates to an association comprising such ingenol derivatives and antiretroviral agents substantially active against actively replicating virus.
• INGENOL-DERIVED COMPOUNDS THAT CAN BE USED FOR TREATING CANCER
  申请人：AMAZÔNIA FITOMEDICAMENTOS LTDA.

  公开号：US20150315124A1

  公开（公告）日：2015-11-05

  The present invention relates to new ingenol derivative compounds for treating cancer. In other aspects, the invention relates to a pharmaceutical composition, medicament, method for treating cancer and dosage form.
• US9713601B2
  申请人：——

  公开号：US9713601B2

  公开（公告）日：2017-07-25