3,4-bis[4-hydroxy-5-oxo-6-peroxycyclohexa-1,3-dienyl]hexa-1,5-diene | 1028377-50-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4-bis[4-hydroxy-5-oxo-6-peroxycyclohexa-1,3-dienyl]hexa-1,5-diene
• CAS: 1028377-50-5
• 化学式: C₁₈H₁₆O₆
• 分子量: 328.321
• InChiKey: RVQFAVIAAGNPSP-UHFFFAOYSA-N

物化性质

• 沸点：
  615.6±55.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.19
• 重原子数：
  24.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  93.06
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4-烯丙基儿茶酚 在 亚甲兰 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 生成 3,4-bis[4-hydroxy-5-oxo-6-peroxycyclohexa-1,3-dienyl]hexa-1,5-diene 、 2-(3,4-二羟基苯基)乙醛
  参考文献：
  名称：

  Inhibitory property of the Piper betel phenolics against photosensitization-induced biological damages

  摘要：

  The Piper betel phenolics, allylpyrocatechol (APC) and chavibetol (CHV), were found to protect photosensitization-mediated lipid peroxidation (LPO) of rat liver mitochondria effectively, APC being significantly more potent. The better activity of APC vis-a-vis CHV could be attributed to its higher reactivity with O-1(2), as revealed from the rate constant values of O-2 quenching by the respective phenolics. APC also prevented the detrimental effects of the Type II photosensitization-induced toxicity to mouse fibroblast L929 cells. The results suggest that APC may play an important role in protecting biological systems against damage, by eliminating O-1(2) generated from certain endogenous photosensitizers. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.12.052