penicyclone C | 1820960-57-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: penicyclone C
• 英文别名: methyl (2R)-2-methyl-4-[(1S,5R,6R)-1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl]butanoate
• CAS: 1820960-57-3
• 化学式: C₁₃H₂₀O₆
• 分子量: 272.298
• InChiKey: YYHLRTDGNHDAMG-GDECHXLSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  penicyclone A 在 4-二甲氨基吡啶 作用下， 以 甲醇 为溶剂， 反应 10.0h， 生成 penicyclone C
  参考文献：
  名称：

  Penicyclones A–E, Antibacterial Polyketides from the Deep-Sea-Derived Fungus Penicillium sp. F23-2

  摘要：

  Five new ambuic acid analogues, penicyclones AE (15), were isolated from the extract of the deep-sea-derived fungus Penicillium sp. F23-2. The structures including the absolute configurations were established by interpretation of NMR and MS data, as well as the application of ECD, X-ray crystallography, and a chemical conversion, as well as the TDDFT-ECD calculations. Penicyclones AE (15) exhibited antimicrobial activity against the Gram-positive bacterium Staphylococcus aureus with MIC values ranging from 0.3 to 1.0 mu g/mL.

  DOI：

  10.1021/acs.jnatprod.5b00655