9,13-Dihydroxy-10-octadecenoic acid

• 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: 9,13-Dihydroxy-10-octadecenoic acid
• 英文别名: (E)-9,13-dihydroxyoctadec-10-enoic acid
• 化学式: C₁₈H₃₄O₄
• 分子量: 314.5
• InChiKey: DDPRXLNAFJOREO-GXDHUFHOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• Method for designing a pharmaceutical compound specific to a desired receptor, a designed compound thereby, and pharmaceutical compositions containing the same
  申请人：Ojima Masanori

  公开号：US20060004107A1

  公开（公告）日：2006-01-05

  A method for designing a pharmaceutical compound specific to a receptor that can induce vasodilatation and/or inhibit platelet aggregation, a compound designed thereby and pharmaceutically acceptable salts thereof, and to their pharmaceutical compositions containing the same, whose side effect is decreased. The method is useful to design a structure of a pharmaceutical compound used for inducing vasodilatation and/or inhibiting platelets aggregation. The designed compound is useful for inhibiting thrombosis formation and/or for treating ischemic diseases.