(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acid | 107551-97-3

• 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: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acid
• CAS: 107551-97-3
• 化学式: C₁₆H₂₈O₇
• 分子量: 332.39
• InChiKey: CLJGMBYGTHRUNF-SHLVDPONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  7

ADMET

代谢

(2S,3S,4S,5R,6R)-3,4,5-三羟基-6-(5-甲基-2-异丙基环己基)氧杂环丁烷-2-羧酸是人造薄荷脑的人类已知代谢物。

(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acid is a known human metabolite of Neomenthol.

来源:NORMAN Suspect List Exchange

反应信息

• 作为反应物：
  描述：

  (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acid 、 4-溴甲基-7-甲氧基香豆素 、 18-冠醚-6 生成 (7-methoxy-2-oxochromen-4-yl)methyl (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylate
  参考文献：
  名称：

  CHAKIR S.; LEROY P.; NICOLAS A.; ZIEGLER J. -M.; LABORY P., J. CHROMATOGR., 395,(1987) 553-561

  摘要：

  DOI：

文献信息

• CHAKIR S.; LEROY P.; NICOLAS A.; ZIEGLER J. -M.; LABORY P., J. CHROMATOGR., 395,(1987) 553-561
  作者：CHAKIR S.、 LEROY P.、 NICOLAS A.、 ZIEGLER J. -M.、 LABORY P.

  DOI：——

  日期：——
• CONCENTRATION AND MENTAL PERFORMANCE AMPLIFYING FORMULATION
  申请人：BUCKLEY Michael Scott

  公开号：US20120177732A1

  公开（公告）日：2012-07-12

  A concentration and mental performance amplifying formulation comprising rhodiola rosea and geranium oil, together with at least one of vinpocetine, phosphatidylcholine, caffeine and Salix alba (White Willow Bark). In another aspect, there is disclosed a concentration and mental performance amplifying formulation comprising: rhodiola rosea , geranium oil, and at least one of anhydrous caffeine and nicotine. In yet another aspect, there is disclosed a concentration and mental performance amplifying formulation as last described which further comprises: Vinpocetine, or Vincamine together with Huperzine-A, or Vinca minor (Periwinkle) together with Huperzine-A; PhosphatidylCholine or Bacopa monnieri (Brahmi) or Mucuna pruriens ; Nicotinamide Adenine Dinucleotide Hydrate; and Salix alba (White Willow Bark). Also described is a method of amplifying concentration and mental performance in a human subject by administering such formulations to such a subject.