3-O-α-formyl-11-keto-β-boswellic acid | 626605-72-9

• 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: 3-O-α-formyl-11-keto-β-boswellic acid
• 英文别名: (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-formyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
• CAS: 626605-72-9
• 化学式: C₃₁H₄₆O₅
• 分子量: 498.703
• InChiKey: PAIBRGHQBUKFNN-ZVGHZZMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  11-酮基-beta-乳香酸 、 甲乙酐 生成 3-O-α-formyl-11-keto-β-boswellic acid
  参考文献：
  名称：

  Acyl derivatives of boswellic acids as inhibitors of NF-κB and STATs

  摘要：

  Boswellic acid acylates including their epimers were synthesized and screened against a panel of human cancer cell lines. They exhibited a range of cytotoxicity against various human cancer cell lines thereby leading to the development of a possible SAR. One of the identified lead compounds was found to be an inhibitor of the NF-kappa B and STAT proteins, warranting further investigations to be developed into a potential anticancer lead. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.112