3-Hydroxy-8-(7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl)-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-Hydroxy-8-(7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl)-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid
• 英文别名: 3-hydroxy-8-(7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl)-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid
• 化学式: C₂₂H₃₀O₆
• 分子量: 390.5
• InChiKey: QZXXPHOCAQMZNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Compounds and mixtures influencing inflammatory states
  申请人：Symrise AG

  公开号：EP2633886A1

  公开（公告）日：2013-09-04

  Suggested is a compound of the formula (X) or any salt of a compound of the formula (X) or any mixture containing or consisting of two or more different compounds of the formula (X), two or more different salts of compounds of the formula (X) or one or more different compounds of the formula (X) and one or more different salts of compounds of the formula (X), wherein for R1, R2 and R3 independently of one another in every compound of the formula (X) the following applies: R1 means hydrogen or methyl, R2 means an organic residue with 5 carbon atoms and one oxygen atom or none and R3 means an organic residue with 10 carbon atoms and one or more oxygen atoms, or R1 and R2 together with the carbon atoms in positions 4 and 5 and the oxygen atom bound to the carbon atom in position 4 form a ring and comprise 5 carbon atoms and one oxygen atom or none, and R3 means an organic residue with 10 carbon atoms and one or more oxygen atoms, for use in a method for the prophylaxis and/or treatment of inflammation.

  建议采用式（X）化合物 或式 (X) 化合物的任何盐，或含有或由两种或两种以上不同的式 (X) 化合物、两种或两种以上不同的式 (X) 化合物的盐或一种或一种以上不同的式 (X) 化合物和一种或一种以上不同的式 (X) 化合物的盐组成的任何混合物，其中对于 在每个式 (X) 化合物中，相互独立的 R1、R2 和 R3 适用以下条件： R1 指氢或甲基、 R2 指具有 5 个碳原子和 1 个氧原子或无氧原子的有机残基，以及 R3 指具有 10 个碳原子和一个或多个氧原子的有机残基、 或 R1 和 R2 连同位于第 4 和第 5 位的碳原子以及与位于第 4 位的碳原子结合的氧原子形成一个环，由 5 个碳原子和 1 个氧原子或无碳原子组成，以及 R3 指具有 10 个碳原子和一个或多个氧原子的有机残基、 用于预防和/或治疗炎症的方法。
• COMPOUNDS AND MIXTURES INFLUENCING INFLAMMATORY STATES
  申请人：Symrise AG

  公开号：EP2633886B1

  公开（公告）日：2018-01-31
• COMPOUNDS AND MIXTURES FOR INFLUENCING INFLAMMATORY STATES
  申请人：SYMRISE AG

  公开号：US20130236472A1

  公开（公告）日：2013-09-12

  The invention relates to certain compounds, salts of these compounds and mixtures containing or consisting of two or more such compounds, two or more such salts or one or more such compounds and one or more such salts, each for use in a method for the prophylaxis and/or treatment of inflammation, in particular of inflammation of the skin.
• Compounds and Mixtures Influencing Inflammatory States
  申请人：SYMRISE AG

  公开号：US20130251730A1

  公开（公告）日：2013-09-26

  Suggested is a compound of the formula (X) or any salt of a compound of the formula (X) or any mixture containing or consisting of two or more different compounds of the formula (X), two or more different salts of compounds of the formula (X) or one or more different compounds of the formula (X) and one or more different salts of compounds of the formula (X), wherein for R1, R2 and R3 independently of one another in every compound of the formula (X) the following applies: R1 means hydrogen or methyl, R2 means an organic residue with 5 carbon atoms and one oxygen atom or none and R3 means an organic residue with 10 carbon atoms and one or more oxygen atoms, or R1 and R2 together with the carbon atoms in positions 4 and 5 and the oxygen atom bound to the carbon atom in position 4 form a ring and comprise 5 carbon atoms and one oxygen atom or none, and R3 means an organic residue with 10 carbon atoms and one or more oxygen atoms, for use in a method for the prophylaxis and/or treatment of inflammation.
• US8906958B2
  申请人：——

  公开号：US8906958B2

  公开（公告）日：2014-12-09