Benzoic acid, 4-(((decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-yl)oxy)methyl)- | 109637-83-4

• 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: Benzoic acid, 4-(((decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-yl)oxy)methyl)-
• 英文别名: 4-[[(1R,5R,8S,9R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxymethyl]benzoic acid
• CAS: 109637-83-4
• 化学式: C₂₃H₃₀O₇
• 分子量: 418.5
• InChiKey: UVNHKOOJXSALHN-GRPBXQKXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• COMPOUNDS, COMPOSITIONS, AND METHODS FOR INHIBITING BACTERIAL GROWTH
  申请人：Board of Trustees of Michigan Stat University

  公开号：US20200046678A1

  公开（公告）日：2020-02-13

  The present disclosure provides, among other things, compounds, compositions, and methods useful in inhibiting bacteria, such as Mycobacterium tuberculosis . These compositions and methods find many uses in medicine and research, e.g., treating subjects afflicted with active or latent bacterial infections.