khonklonginol B | 1159909-60-0

• 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: khonklonginol B
• 英文别名: 3,5-dihydroxy-4'-methoxy-6'',6''-dimethylpyrano(2'',3'':7,6)-8-(3''',3'''-dimethylallyl)flavanone；(7S,8R)-5,7-dihydroxy-8-(4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
• CAS: 1159909-60-0
• 化学式: C₂₆H₂₈O₆
• 分子量: 436.505
• InChiKey: ACXXSEDDPWHZAU-DHIUTWEWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  85.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  khonklonginol B 在 吡啶 、 盐酸羟胺 作用下， 反应 60.0h， 以62%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