3,5-dihydroxyphenyl heptanoate | 1620993-02-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 3,5-dihydroxyphenyl heptanoate
• 英文别名: (3,5-Dihydroxyphenyl) heptanoate；(3,5-dihydroxyphenyl) heptanoate
• CAS: 1620993-02-3
• 化学式: C₁₃H₁₈O₄
• 分子量: 238.284
• InChiKey: HFPXHVDVBUMBBO-UHFFFAOYSA-N

物化性质

• 沸点：
  379.5±12.0 °C(Predicted)
• 密度：
  1.154±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间苯三酚 、 庚酸 在 N,N'-二环己基碳二亚胺 作用下， 生成 3,5-dihydroxyphenyl heptanoate
  参考文献：
  名称：

  Inhibitory effects of cardols and related compounds on superoxide anion generation by xanthine oxidase

  摘要：

  5-Pentadecatrienylresorcinol, isolated from cashew nuts and commonly known as cardol (C-15:3), prevented the generation of superoxide radicals catalysed by xanthine oxidase without the inhibition of uric acid formation. The inhibition kinetics did not follow the Michelis-Menten equation, but instead followed the Hill equation. Cardol (C-10:0) also inhibited superoxide anion generation, but resorcinol and cardol (C-5:0) did not inhibit superoxide anion generation. The related compounds 3,5-dihydroxyphenyl alkanoates and alkyl 2,4-dihydroxybenzoates, had more than a C9 chain, cooperatively inhibited but alkyl 3,5-dihydroxybenzoates, regardless of their alkyl chain length, did not inhibit the superoxide anion generation. These results suggested that specific inhibitors for superoxide anion generation catalysed by xanthine oxidase consisted of an electron-rich resorcinol group and an alkyl chain having longer than C9 chain. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.foodchem.2014.06.021

文献信息

• Inhibitory effects of cardols and related compounds on superoxide anion generation by xanthine oxidase
  作者：Noriyoshi Masuoka、Ken-ichi Nihei、Ayami Maeta、Yoshiro Yamagiwa、Isao Kubo

  DOI：10.1016/j.foodchem.2014.06.021

  日期：2015.1

  5-Pentadecatrienylresorcinol, isolated from cashew nuts and commonly known as cardol (C-15:3), prevented the generation of superoxide radicals catalysed by xanthine oxidase without the inhibition of uric acid formation. The inhibition kinetics did not follow the Michelis-Menten equation, but instead followed the Hill equation. Cardol (C-10:0) also inhibited superoxide anion generation, but resorcinol and cardol (C-5:0) did not inhibit superoxide anion generation. The related compounds 3,5-dihydroxyphenyl alkanoates and alkyl 2,4-dihydroxybenzoates, had more than a C9 chain, cooperatively inhibited but alkyl 3,5-dihydroxybenzoates, regardless of their alkyl chain length, did not inhibit the superoxide anion generation. These results suggested that specific inhibitors for superoxide anion generation catalysed by xanthine oxidase consisted of an electron-rich resorcinol group and an alkyl chain having longer than C9 chain. (C) 2014 Elsevier Ltd. All rights reserved.