Methyl 6-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate

• 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: Methyl 6-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
• 化学式: C₃₃H₄₆O₁₆
• 分子量: 698.7
• InChiKey: VHTRQAURSCLUNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  49
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  244
• 氢给体数：
  7
• 氢受体数：
  16

文献信息

• CLERODANE DERIVATIVES FOR MODULATION OF LEUKOTRIENE RECEPTOR ACTIVITY AND RELATED DISEASES
  申请人：GEHLING Matthias

  公开号：US20120245113A1

  公开（公告）日：2012-09-27

  The use or methods of use of extracts comprising one or more special clerodane compounds against inflammatory (including allergic) diseases or conditions, as well as novel compounds of this type, said clerodane derivatives for use against inflammatory (including allergic) diseases or conditions, pharmaceutical formulations comprising them especially for use against inflammatory disease or conditions, and related embodiments; said extract and/or compound(s) for use in the treatment or in the preparation of a medicament (including a nutraceutical) for the prophylactic and/or therapeutic treatment of said disease or condition, as well as their preparation; pharmaceutical or nutraceutical formulations comprising said extract and/or natural compound(s) which are useful in said prophylactic and/or therapeutic treatment, and related embodiments.
• US8962575B2
  申请人：——

  公开号：US8962575B2

  公开（公告）日：2015-02-24
• [EN] CLERODANE DERIVATIVES FOR MODULATION OF LEUKOTRIENE RECEPTOR ACTIVITY AND RELATED DISEASES<br/>[FR] DÉRIVÉS DE CLÉRODANE POUR LA MODULATION DE L'ACTIVITÉ D'UN RÉCEPTEUR DE LEUCOTRIÈNES ET DES MALADIES ASSOCIÉES
  申请人：BIOTROPICS MALAYSIA BERHAD

  公开号：WO2012134258A1

  公开（公告）日：2012-10-04

  The use or methods of use of extracts comprising one or more special clerodane compounds against inflammatory (including allergic) diseases or conditions, as well as novel compounds of this type, said clerodane derivatives for use against inflammatory (including allergic) diseases or conditions, pharmaceutical formulations comprising them especially for use against inflammatory disease or conditions, and related embodiments; said extract and/or compound(s) for use in the treatment or in the preparation of a medicament (including a nutraceutical) for the prophylactic and/or therapeutic treatment of said disease or condition, as well as their preparation; pharmaceutical or nutraceutical formulations comprising said extract and/or natural compound(s) which are useful in said prophylactic and/or therapeutic treatment, and related embodiments.