mollipilin B | 1403982-81-9

• 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: mollipilin B
• 英文别名: (2E,4E)-2-[(1S)-1-hydroxy-4-[(2R)-oxiran-2-yl]-2-oxobutyl]hepta-2,4-dienal
• CAS: 1403982-81-9
• 化学式: C₁₃H₁₈O₄
• 分子量: 238.284
• InChiKey: XAHQWLXTXXPQJP-WFSLFJSVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  mollipilin B 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Structural Diversity of New C₁₃-Polyketides Produced by Chaetomium mollipilium Cultivated in the Presence of a NAD⁺-Dependent Histone Deacetylase Inhibitor

  摘要：

  Cultivation of Chaetomium mollipilium with nicotinamide, a NAD(+)-dependent HDAC inhibitor, stimulated its secondary metabolism, leading to the isolation of structurally diverse new C-13-polyketides, mollipilin A-E (1-5) as well as two known compounds (6 and 7). Spectroscopic methods, X-ray single crystal diffraction analysis, and VCD elucidated the absolute configurations of structures 1-6, and plausible biosynthetic pathways for 1-7 were proposed based on structural relationships. Mollipilins A (1) and B (2) exhibited moderate growth inhibitory effects on HCT-116 cells.

  DOI：

  10.1021/ol302539s