5-[(1S)-1-[(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde | 1492060-18-0

• 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: 5-[(1S)-1-[(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
• CAS: 1492060-18-0
• 化学式: C₂₈H₃₈O₅
• 分子量: 454.607
• InChiKey: IEWHEHWXBLPFER-DAZKRMNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  大果桉醛B 在 1-丙基磷酸酐 、 2,5-di-tert-butylpyridine 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 反应 6.0h， 以89%的产率得到5-[(1S)-1-[(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
  参考文献：
  名称：

  Semisynthesis of Macrocarpal C and Analogues by Selective Dehydration of Macrocarpal A or B

  摘要：

  Macrocarpals A and C are structurally related compounds that have been extracted from different Eucalyptus species. Although macrocarpal C is of biological interest, its isolation in pure form is difficult to achieve. We report herein an efficient method for the semisynthesis of macrocarpal C by selective exo-dehydration of another member of the macrocarpal family, macrocarpal A. We also report the semisynthesis of three new macrocarpal structures derived from either macrocarpal A or B.

  DOI：

  10.1021/np400869z

文献信息

• Plants extracts for use in brain modulation
  申请人：InterMed Discovery GmbH

  公开号：EP1939166A1

  公开（公告）日：2008-07-02

  Compounds obtainable from plants, e.g. of the genus Eucalyptus, or from microorganisms are shown to be useful as CNS activity modulators useful e.g. in the treatment of depression, for lifting mood and/or for increasing behavioural initiative and the like. This use and related aspects form embodiments of the invention. Also compounds as such are presented. The compounds useful are acylphloroglucine derivatives of the formula I, wherein the substituents are as defined in the description.

  从植物（如桉树属）或微生物中提取的化合物可用作中枢神经系统活性调节剂，例如用于治疗抑郁症、改善情绪和/或提高行为主动性等。这种用途和相关方面构成了本发明的实施例。此外，还介绍了本发明的化合物。 有用的化合物是式 I 的酰基氯葡萄糖衍生物、 其中的取代基如描述中所定义。
• PLANTS EXTRACTS FOR USE IN BRAIN MODULATION
  申请人：Roemer Ernst

  公开号：US20110021613A1

  公开（公告）日：2011-01-27

  Compounds obtainable from plants, e.g. of the genus Eucalyptus , or from microorganisms are shown to be useful as CNS activity modulators useful e.g. in the treatment of depression, for lifting mood and/or for increasing behavioural initiative and the like. This use and related aspects form embodiments of the invention. Also compounds as such are presented. The compounds useful are acylphloroglucine derivatives of the formula I, wherein the substituents are as defined in the description.
• PLANT EXTRACTS FOR USE IN BRAIN MODULATION
  申请人：Roemer Ernst

  公开号：US20120058172A1

  公开（公告）日：2012-03-08

  Compounds obtainable from plants, e.g. of the genus Eucalyptus, or from microorganisms are shown to be useful as CNS activity modulators useful e.g. in the treatment of depression, for lifting mood and/or for increasing behavioural initiative and the like. This use and related aspects form embodiments of the invention. Also compounds as such are presented. The compounds useful are acylphloroglucine derivatives of the formula I, wherein the substituents are as defined in the description.
• [EN] PLANTS EXTRACTS FOR USE IN BRAIN MODULATION<br/>[FR] EXTRAITS DE PLANTES POUR UNE UTILISATION DANS LA MODULATION CÉRÉBRALE
  申请人：INTERMED DISCOVERY GMBH

  公开号：WO2008074420A1

  公开（公告）日：2008-06-26

  [EN] Compounds obtainable from plants, e.g. of the genus Eucalyptus, or from microorganisms are shown to be useful as CNS activity modulators useful e.g. in the treatment of depression, for lifting mood and/or for increasing behavioural initiative and the like. This use and related aspects form embodiments of the invention. Also compounds as such are presented. The compounds useful are acylphloroglucine derivatives of the formula (I) wherein the substituents are as defined in the description.
  [FR] La présente invention concerne des composés que l'on peut obtenir à partir de plantes, par exemple du genre Eucalyptus, ou à partir de microorganismes. Il s'est avéré que ceux-ci sont utiles comme modulateurs de l'activité du SNC utiles par exemple dans le traitement de la dépression, pour améliorer l'humeur et/ou pour augmenter l'initiative comportementale et équivalents. Cette utilisation et les aspects relatifs forment les modes de réalisation de l'invention. Ainsi des composés tels que ceux-ci sont présentés. Les composés utiles sont des dérivés de l'acylphloroglucine de formule (I) dans lesquels les substituants sont tels que définis dans la description.