4-Dodecanoyl-5-hydroxy-2,2,6,6-tetrakis-(3-methyl-but-2-enyl)-cyclohex-4-ene-1,3-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Dodecanoyl-5-hydroxy-2,2,6,6-tetrakis-(3-methyl-but-2-enyl)-cyclohex-4-ene-1,3-dione
• 英文别名: 4-Dodecanoyl-5-hydroxy-2,2,6,6-tetrakis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
• 化学式: C₃₈H₆₀O₄
• 分子量: 580.892
• InChiKey: DJZXRAJPBKLLIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  42
• 可旋转键数：
  19
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(2,4,6-三羟基苯基)十二烷-1-酮 、 1-溴-3-甲基-2-丁烯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 5.0h， 以13%的产率得到1-[2,4,6-Trihydroxy-3-(3-methyl-but-2-enyl)-phenyl]-dodecan-1-one
  参考文献：
  名称：

  Triketones active against antibiotic-resistant bacteria: Synthesis, structure–activity relationships, and mode of action

  摘要：

  A series of acylated phloroglucinols and triketones was synthesized and tested for activity against methicillin-resistant Staphylococcus aureus (MRSA), vancomycin-resistant Enterococcus faecalis (VRE) and multi-drug-resistant Mycobacterium tuberculosis (MDR-TB). A tetra-methylated triketone with a C-12 side chain was the most active compound (MIC of around 1.0 mu g/ml against MRSA) and was shown to stimulate oxygen consumption by resting cell suspensions, suggesting that the primary target was the cytoplasmic membrane. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.07.045