acoramol | 1402544-70-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醇
• 英文名称: acoramol
• 英文别名: (Z)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-ol
• CAS: 1402544-70-0
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: TXWGYXAWALNJBI-PLNGDYQASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  acoramol 生成 (E)-3-(2,4,5-三甲氧基苯基)丙-2-烯-1-醇
  参考文献：
  名称：

  The asarone-derived phenylpropanoids from the rhizome of Acorus calamus var. angustatus Besser

  摘要：

  Phenylpropanoids comprise a broad spectrum of biologically active natural products. As part of our ongoing research on antiepileptic active compounds from traditional Chinese herb, Acorus calamus var. angustatus Besser, three undescribed phenylpropanoids and twenty-two known ones were isolated. All the undescribed structures were determined by a combination of 1D and 2D NMR, HRMS. In addition, gamma-asaronol was identified as racemates and its absolute configuration were determined by the modified Mosher's method and ECD spectral data. Furthermore, some selected isolated compounds were evaluated for their cell viability and neuroprotective activities in H2O2-induced SH-SY5Y cells. alpha-Asaronol, beta-asaronol, 3-(2,4,5-trimethoxyphenyl)propan-1-ol and 1,2,4-trimethoxy-5-(3-methoxypropyl)benzene exerted potential protective activity from neuronal oxidative stress in all test concentrations ranging from 0.01 to 100 mu M, in which the neuroprotective activity of beta-asaronol was the best.

  DOI：

  10.1016/j.phytochem.2019.112212

文献信息

• The asarone-derived phenylpropanoids from the rhizome of Acorus calamus var. angustatus Besser
  作者：Yajun Bai、Ying Sun、Jing Xie、Bin Li、Yujun Bai、Dongxu Zhang、Jing Liang、Chaoni Xiao、Aiguo Zhong、Yanjun Cao、Xiaohui Zheng

  DOI：10.1016/j.phytochem.2019.112212

  日期：2020.2

  Phenylpropanoids comprise a broad spectrum of biologically active natural products. As part of our ongoing research on antiepileptic active compounds from traditional Chinese herb, Acorus calamus var. angustatus Besser, three undescribed phenylpropanoids and twenty-two known ones were isolated. All the undescribed structures were determined by a combination of 1D and 2D NMR, HRMS. In addition, gamma-asaronol was identified as racemates and its absolute configuration were determined by the modified Mosher's method and ECD spectral data. Furthermore, some selected isolated compounds were evaluated for their cell viability and neuroprotective activities in H2O2-induced SH-SY5Y cells. alpha-Asaronol, beta-asaronol, 3-(2,4,5-trimethoxyphenyl)propan-1-ol and 1,2,4-trimethoxy-5-(3-methoxypropyl)benzene exerted potential protective activity from neuronal oxidative stress in all test concentrations ranging from 0.01 to 100 mu M, in which the neuroprotective activity of beta-asaronol was the best.