opt.-inakt.-2-Methyl-6-hydroxy-<4'-methyl-Δ^3'-cyclohexenyl>-Δ²-hexen | 4871-91-4

• 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: opt.-inakt.-2-Methyl-6-hydroxy-<4'-methyl-Δ^3'-cyclohexenyl>-Δ²-hexen
• 英文别名: 5-Methyl-1-(4-methylcyclohex-3-en-1-yl)hex-4-en-1-ol；5-methyl-1-(4-methylcyclohex-3-en-1-yl)hex-4-en-1-ol
• CAS: 4871-91-4
• 化学式: C₁₄H₂₄O
• 分子量: 208.344
• InChiKey: GRWNCQTXRVSTRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• A skin and/or hair whitening mixture
  申请人：Symrise AG

  公开号：EP2842607B1

  公开（公告）日：2018-05-30
• [EN] TREATMENT OF PAIN USING ALLOSTERIC MODULATOR OF TRPV1<br/>[FR] TRAITEMENT DE LA DOULEUR À L'AIDE D'UN MODULATEUR ALLOSTÉRIQUE DE TRPV1
  申请人：GBS GLOBAL BIOPHARMA INC

  公开号：WO2020264424A1

  公开（公告）日：2020-12-30

  Provided herein are methods of treating pain using pharmaceutical compositions that comprise an allosteric modulator of TRPV1, optionally in admixture with a TRPV1 ligand. The pharmaceutical composition is substantially free of THC and THCA. Also provided are methods of identifying an allosteric modulator of TRPV1 by analyzing binding to a specific binding pocket in TRPV1 and designing a complex mixture comprising the allosteric modulator for treating pain.