isoquercitrin decanoate | 1237534-72-3

• 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: isoquercitrin decanoate
• CAS: 1237534-72-3
• 化学式: C₃₁H₃₈O₁₃
• 分子量: 618.635
• InChiKey: ZVXAPLDEXSQRCZ-FEFQMLAISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.15
• 重原子数：
  44.0
• 可旋转键数：
  13.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  216.58
• 氢给体数：
  7.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  异槲皮苷 、 癸酸乙酯 在 Novozym 435 作用下， 以 2-甲基-2-丁醇 为溶剂， 65.0 ℃ 、70.0 kPa 条件下， 反应 72.0h， 生成 isoquercitrin decanoate
  参考文献：
  名称：

  Effect of acyl donor chain length on isoquercitrin acylation and biological activities of corresponding esters

  摘要：

  The enzymatic acylation of isoquercitrin with fatty acid esters of various carbon chain lengths was carried out in 2-methyl-2-butanol using Novozym 435(R). The conversion yield and the initial rate decreased from 66% to 38% and from 17.7 to 10.1 mu mol/h respectively, as the carbon chain of the acyl donor increased from C4 to C18. Isoquercitrin acylated derivatives showed higher xanthine oxidase inhibition activities than isoquercitrin. This property increased with the lipophilicity of the derivative esters. The scavenging activity of isoquercitrin esters against ABTS and DPPH radicals decreased with the acyl chain length. Conversely. for esters from C6 to C18, a linear growing relationship can be established between the chain length and the superoxide radical scavenging activity. Furthermore, an improved antiproliferative effect on Caco2 cancer cells was induced by addition of isoquercitrin esters comparing with isoquercitrin. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.procbio.2009.10.012