10-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-decan-3-one | 86248-31-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 10-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-decan-3-one
• 英文别名: 10-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one；10-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
• CAS: 86248-31-9
• 化学式: C₁₇H₂₆O₄
• 分子量: 294.391
• InChiKey: WOGAZCHMSJALTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  10-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-decan-3-one 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以7 mg的产率得到10-(4-Hydroxy-3-methoxy-phenyl)-decane-1,8-diol
  参考文献：
  名称：

  Biotransformation of 6-gingerol and 6-shogaol by Aspergillus niger

  摘要：

  6-Gingerol and 6-shogaol, the pungent constituents of Zingiber officinalis were biotransformed by Aspergillus niger. 6-Gingerol was converted to the corresponding primary alcohol as major product although a keto group is present in the molecule whereas the double bond and keto group of 6-shogaol were reduced and the terminal methyl group was further oxidized to afford a ketoalcohol and a diol. All metabolites obtained from both substrates are tasteless. The structures of the metabolites have been established by spectral evidence. The metabolic pathways of both substrates will be discussed.

  DOI：

  10.1016/s0031-9422(00)90835-5
• 作为产物：
  描述：

  6-姜酚 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 170.0h， 生成 10-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-decan-3-one
  参考文献：
  名称：

  Biotransformation of 6-gingerol and 6-shogaol by Aspergillus niger

  摘要：

  6-Gingerol and 6-shogaol, the pungent constituents of Zingiber officinalis were biotransformed by Aspergillus niger. 6-Gingerol was converted to the corresponding primary alcohol as major product although a keto group is present in the molecule whereas the double bond and keto group of 6-shogaol were reduced and the terminal methyl group was further oxidized to afford a ketoalcohol and a diol. All metabolites obtained from both substrates are tasteless. The structures of the metabolites have been established by spectral evidence. The metabolic pathways of both substrates will be discussed.

  DOI：

  10.1016/s0031-9422(00)90835-5