chlorocylindrocarpol | 1114927-87-5

• 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: chlorocylindrocarpol
• 英文别名: 5-chloro-3-[(2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
• CAS: 1114927-87-5
• 化学式: C₂₃H₃₃ClO₅
• 分子量: 424.965
• InChiKey: DVURAWKKNXOYHO-LHDPSMIPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  98
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  chlorocylindrocarpol 、 甲氧基-三氟甲基苯 在 氘代吡啶 作用下， 以 氘代氯仿 为溶剂， 生成 [(3S,6E,10E)-12-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-2,6,10-trimethyl-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxydodeca-6,10-dien-3-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
  参考文献：
  名称：

  Anti-inflammatory Sesquiterpenoids from a Sponge-Derived Fungus Acremonium sp.

  摘要：

  In the course of our search for bioactive metabolites from a sponge-derived fungus Acremonium sp., new sesquiterpenoids (1-4) were isolated along with known derivatives by bioactivity-guided fractionation. The unique cyclic skeleton of compounds 2 and 3 is unprecedented. The absolute configurations were determined by modified Mosher's method and CD spectroscopy, along with comparison of H-1 and C-13 NMR spectroscopic data and specific optical rotation values with those reported. The anti-inflammatory activity of the isolated compounds (1, 5, 7-13) was evaluated by measuring their inhibitory effects on the production of pro-inflammatory mediators (NO, IL-6, and TNF-alpha) in RAW 264.7 murine macrophage cells. Among the compounds tested, compounds 7 and 9 significantly inhibited the production of NO and TNF-alpha at the concentration of 100 mu M, while compounds 11 and 12 showed selective inhibition of NO production at the same concentration.

  DOI：

  10.1021/np8006793

文献信息

• MEROTERPENOID COMPOUNDS FOR USE IN THE PREVENTION AND TREATMENT OF A NEUROLOGICAL DISORDER
  申请人：SOCIETE DES PRODUITS NESTLE S.A.

  公开号：US20200405676A1

  公开（公告）日：2020-12-31

  The present invention relates to a compound, in particular a meroterpenoid compound, or salt thereof, for use in the prevention and/or treatment of a neurological disorder in an individual. The compound of the invention can promote lactate secretion. A composition comprising the compound of the invention, and a food or food extract enriched with said compound or composition is also provided.