atractylenolide II | 16641-51-3

• 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: atractylenolide II
• 英文别名: 8-Epiasterolide；(4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
• CAS: 16641-51-3
• 化学式: C₁₅H₂₀O₂
• 分子量: 232.323
• InChiKey: OQYBLUDOOFOBPO-GZBFAFLISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Anti Hallucination Drug
  申请人：Kracie Pharma, Ltd.

  公开号：US20170189465A1

  公开（公告）日：2017-07-06

  With the object of providing a novel anti-hallucination agent capable of suppressing, treating or preventing a hallucinatory symptom, the anti-hallucination agent of the invention contains an Atractylodes -derived crude drug as an active ingredient or contains a compound represented by the following formula (Ia), a stereoisomer thereof or a salt thereof as an active ingredient: in the formula, the double lines consisting of a solid line and a broken line represent a single bond or a double bond; R 1 represents a hydrogen atom or a hydroxyl group, with the proviso that R 1 does not exist when the carbon atom to which R 1 is attached is linked to one of the neighboring carbon atoms through a double bond; R 2 represents a hydrogen atom or is combined with R 3 to represent a cyclic group which may have a substituent; and R 3 represents a hydrogen atom or an alkyl group having 1 to 6 carbon atoms which may have a substituent or is combined with R 2 to represent a cyclic group which may have a substituent.