2-acetyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one | 3761-64-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-acetyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
• 英文别名: flavaspidic acid AB；Flavaspidsaeure-AB
• CAS: 3761-64-6
• 化学式: C₂₂H₂₆O₈
• 分子量: 418.444
• InChiKey: XRWVZSPWRNDJNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.46
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  152.36
• 氢给体数：
  5.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 1-(2,4,6-三羟基-3-甲基苯基)-1-丁酮 、 2-乙酰基-3,5-二羟基-4,4-二甲基-2,5-环己二烯-1-酮 在 氢氧化钾 作用下， 生成 2-acetyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
  参考文献：
  名称：

  Penttilae,A.; Sundman,J., Acta Chemica Scandinavica (1947), 1964, vol. 18, # 2, p. 344 - 352

  摘要：

  DOI：

文献信息

• PLANT-BASED INHIBITORS OF KETOHEXOKINASE FOR THE SUPPORT OF WEIGHT MANAGEMENT
  申请人：Rana Jatinder

  公开号：US20140377386A1

  公开（公告）日：2014-12-25

  A composition for inhibiting ketohexokinase, for example, ketohexokinase-C (KHK-C) activity, may include a plant extract exhibiting at least IC50 (i.e., 50% KHK-C inhibition at a concentration in the range of from about 0.1 μg/mL to about 1000 μg/mL. The composition may be in a form suitable for oral ingestion. A method for inhibiting KHK-C activity in a subject may include administering a plant extract that exhibits at least 50% KHK-C inhibition at a concentration from about 0.1 μg/mL to about 1000 μg/mL. The administering may be done to treat or prevent at least one of sugar addiction, obesity, or metabolic syndrome. The administering may be done to provide a diminished craving in the subject from at least one member selected from the group consisting of craving of sugar, fructose, fructose-containing sugars, carbohydrates, and combinations thereof. The subject may be pre-diabetic, diabetic and or insulin resistant.