(4R,5S)-3,4-dihydroxy-4-[(1S)-hydroxy-4-methylpent-3-en-1-yl]-2-(3-methylbutanoyl)-5-(3-methylbut-2-en-1-yl)cyclopent-2-en-1-one | 83708-76-3

• 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: (4R,5S)-3,4-dihydroxy-4-[(1S)-hydroxy-4-methylpent-3-en-1-yl]-2-(3-methylbutanoyl)-5-(3-methylbut-2-en-1-yl)cyclopent-2-en-1-one
• 英文别名: (4R,5S)-3,4-dihydroxy-4-[(1S)-1-hydroxy-4-methylpent-3-enyl]-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)cyclopent-2-en-1-one
• CAS: 83708-76-3
• 化学式: C₂₁H₃₂O₅
• 分子量: 364.482
• InChiKey: LOONUJJGHHFUCE-LDBYXDLTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4R,5S)-3,4-dihydroxy-4-[(1S)-hydroxy-4-methylpent-3-en-1-yl]-2-(3-methylbutanoyl)-5-(3-methylbut-2-en-1-yl)cyclopent-2-en-1-one 在 sodium periodate 作用下， 以 1,4-二氧六环 为溶剂， 生成 Dehydroisohumulinsaeure
  参考文献：
  名称：

  Khokher,A. et al., Bulletin des Societes Chimiques Belges, 1967, vol. 76, p. 101 - 110

  摘要：

  DOI：
• 作为产物：
  描述：

  (R)-3,4,6-Trihydroxy-5,6-bis-(3-methyl-but-2-enyl)-2-(3-methyl-butyryl)-cyclohexa-2,4-dienone 在 sodium tetrahydroborate 作用下， 以 异辛烷 、 水 为溶剂， 生成 (4R,5S)-3,4-dihydroxy-4-[(1S)-hydroxy-4-methylpent-3-en-1-yl]-2-(3-methylbutanoyl)-5-(3-methylbut-2-en-1-yl)cyclopent-2-en-1-one
  参考文献：
  名称：

  Khokher,A. et al., Bulletin des Societes Chimiques Belges, 1967, vol. 76, p. 101 - 110

  摘要：

  DOI：

文献信息

• Compositions for promoting bone and joint health
  申请人：Metaproteomics, LLC

  公开号：EP2626077A2

  公开（公告）日：2013-08-14

  The present invention relates to methods and compositions for promoting bone and joint health in a mammal in need thereof.

  本发明涉及促进有需要的哺乳动物骨骼和关节健康的方法和组合物。
• Methods and Compositions for Promoting Bone and Joint Health
  申请人：Tripp Matthew L.

  公开号：US20080242690A1

  公开（公告）日：2008-10-02

  Methods and compositions that can be used to promote bone and joint health through amelioration, stabilization and repair of damage associated with various pathophysiological conditions are disclosed.
• Methods and Compositions for Heavy Metal Detoxification
  申请人：Tripp Matthew L.

  公开号：US20090155382A1

  公开（公告）日：2009-06-18

  Compositions and methods for enhancing heavy metal detoxification are described. The compositions and methods described provide enhanced activity of key detoxification systems including that the induction of phase II detoxification enzymes, such as glutathione S-transferases (GSTs), and NADPH quinone reductase (NQO1) activity.
• METHODS AND COMPOSITIONS FOR PROMOTING BONE AND JOINT HEALTH
  申请人：Tripp Matthew L.

  公开号：US20100069422A1

  公开（公告）日：2010-03-18

  Methods and compositions that can be used to promote bone and joint health through amelioration, stabilization and repair of damage associated with various pathophysiological conditions are disclosed.
• SUBSTITUTED 1,3-CYCLOPENTADIONE MULTI-TARGET PROTEIN KINASE MODULATORS OF CANCER, ANGIOGENESIS AND THE INFLAMMATORY PATHWAYS ASSOCIATED THEREWITH
  申请人：Tripp Matthew L.

  公开号：US20100137449A1

  公开（公告）日：2010-06-03

  Compounds and methods for multi-targeted protein kinase modulation for angiogenesis, cancer treatment or the inflammatory pathways associated with those conditions are disclosed. The compounds and methods disclosed are based on substituted 1,3-cyclopentadione compounds.