Withalongolide E | 1350448-46-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: Withalongolide E
• 英文别名: (1S,2R,5S,6S,7R,9R,11S,12S,15R,16S,18S)-6,18-dihydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
• CAS: 1350448-46-2
• 化学式: C₂₉H₄₂O₈
• 分子量: 518.6
• InChiKey: JQCUJCHQCVDHTF-OAWRJLTLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• Withanolide Isolated from Physalis longifolia and Analogs and Methods of Use Thereof
  申请人：Timmermann Barbara N.

  公开号：US20120196815A1

  公开（公告）日：2012-08-02

  The present invention features novel withanolides, as well as analogs and salts thereof, for use in the treatment of proliferative disease, cardiovascular disease, neurodegenerative disease and inflammatory disease.
• [EN] WITHANOLIDE ISOLATED FROM PHYSALIS LONGIFOLIA AND ANALOGS AND METHODS OF USE THEREOF<br/>[FR] WITHANOLIDE ISOLÉ À PARTIR DE PHYSALIS LONGIFOLIA ET SES ANALOGUES ET PROCÉDÉS D'UTILISATION
  申请人：UNIV KANSAS

  公开号：WO2012106393A2

  公开（公告）日：2012-08-09

  The present invention features novel withanolides, as well as analogs and salts thereof, for use in the treatment of proliferative disease, cardiovascular disease, neurodegenerative disease and inflammatory disease.