[(7R,8R)-5-hydroxy-8-(4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-6-oxo-7,8-dihydropyrano[3,2-g]chromen-7-yl] acetate | 1420046-26-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: [(7R,8R)-5-hydroxy-8-(4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-6-oxo-7,8-dihydropyrano[3,2-g]chromen-7-yl] acetate
• CAS: 1420046-26-9
• 化学式: C₂₈H₃₀O₇
• 分子量: 478.542
• InChiKey: CRUVBTQPFIDJSM-SQHAQQRYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [(7R,8R)-5-hydroxy-8-(4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-6-oxo-7,8-dihydropyrano[3,2-g]chromen-7-yl] acetate 在 吡啶 、 盐酸羟胺 作用下， 反应 32.0h， 以18%的产率得到
  参考文献：
  名称：

  Oximes of 3-Hydroxyprenylflavanones and Their Cytotoxic Activities

  摘要：

  Oximination of 3-hydroxyprenylflavanones using hydroxylamine hydrochloride yielded 4-hydroxy-3-oxime and 3-hydroxy-4-oxime derivatives. The 3 beta-O-acetylhydroxyprenylflavanones, under similar reaction condition, yielded corresponding 4-O-acetyl-3-oximes. The configurations at C-4 of the 4-hydroxy-3-oximes obtained from both 3 alpha- and 3 beta-hydroxyprenylflavanones and of 4-O-acetyl-3-oxime derivative from 3 beta-O-aeetylprenylflavanones were proposed. Cytotoxic activities of the oximes and their parent compounds were evaluated against a panel of human cancer cell lines.

  DOI：

  10.3987/com-12-12568
• 作为产物：
  描述：

  khonklonginol A 、 乙酸酐 在 吡啶 、 4-二甲氨基吡啶 作用下， 反应 5.0h， 以82%的产率得到[(7R,8R)-5-acetyloxy-8-(4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-6-oxo-7,8-dihydropyrano[3,2-g]chromen-7-yl] acetate
  参考文献：
  名称：

  Oximes of 3-Hydroxyprenylflavanones and Their Cytotoxic Activities

  摘要：

  Oximination of 3-hydroxyprenylflavanones using hydroxylamine hydrochloride yielded 4-hydroxy-3-oxime and 3-hydroxy-4-oxime derivatives. The 3 beta-O-acetylhydroxyprenylflavanones, under similar reaction condition, yielded corresponding 4-O-acetyl-3-oximes. The configurations at C-4 of the 4-hydroxy-3-oximes obtained from both 3 alpha- and 3 beta-hydroxyprenylflavanones and of 4-O-acetyl-3-oxime derivative from 3 beta-O-aeetylprenylflavanones were proposed. Cytotoxic activities of the oximes and their parent compounds were evaluated against a panel of human cancer cell lines.

  DOI：

  10.3987/com-12-12568