13-(6-Hydroxy-2,7,8-trimethylchroman-2-yl)-2,6,10-trimethyltridecanoic acid

• 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: 13-(6-Hydroxy-2,7,8-trimethylchroman-2-yl)-2,6,10-trimethyltridecanoic acid
• 英文别名: 13-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)-2,6,10-trimethyltridecanoic acid
• 化学式: C₂₈H₄₆O₄
• 分子量: 446.7
• InChiKey: WPZHQZIUOXUCOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  32
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS
  申请人：Phenomenome Discoveries Inc.

  公开号：EP2459510A1

  公开（公告）日：2012-06-06
• [EN] HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS<br/>[FR] ACIDES GRAS HYDROXY ET LEURS UTILISATIONS DANS LE TRAITEMENT ET LE DIAGNOSTIC DE MALADIES
  申请人：PHENOMENOME DISCOVERIES INC

  公开号：WO2011011882A1

  公开（公告）日：2011-02-03

  A compound of formula (I): wherein R represents a hydroxy substituted C24 - C40 straight chain aliphatic group containing at least one double bond in the carbon chain; and at least one carbon in the chain is substituted with a hydroxy group. Such compounds are useful for detecting inflammation, inflammatory disorders and cancer in a subject, and can also be used in therapeutic applications including treatment and/or prevention of these conditions. Pharmaceutical compositions, combinations and supplements, as well as methods of treatment using the described compounds are therefore also described.