5-Phenyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one | 1024741-20-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-Phenyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one
• CAS: 1024741-20-5
• 化学式: C₂₀H₂₀O₄
• 分子量: 324.376
• InChiKey: GTURNHNRMXXRNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3',4',5'-三甲氧基苯乙酮 、 肉桂醛 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 5-Phenyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one
  参考文献：
  名称：

  Examination of growth inhibitory properties of synthetic chalcones for which antibacterial activity was predicted

  摘要：

  A large series of chalcones were synthesized and studied against Staphylococcus aureus and Escherichia coli. Chalcones were either unsubstituted in ring A or possessed 4-chloro or 3',4',5'-trimethoxy groups. Their other ring B was variously substituted. It was found that the antistaphylococcal activity of chalcones was related to the energy difference between the two highest occupied molecular orbitals (HOMO and HOMO-1). Presence of hydroxyl group in ring B was not a determinant factor for the anti-staphylococcal activity, but the lipophilicity of ring A of the hydroxyl chalcones was of importance. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.05.010

文献信息

• Examination of growth inhibitory properties of synthetic chalcones for which antibacterial activity was predicted
  作者：Daniela Batovska、Stoyan Parushev、Bistra Stamboliyska、Iva Tsvetkova、Mariana Ninova、Hristo Najdenski

  DOI：10.1016/j.ejmech.2008.05.010

  日期：2009.5

  A large series of chalcones were synthesized and studied against Staphylococcus aureus and Escherichia coli. Chalcones were either unsubstituted in ring A or possessed 4-chloro or 3',4',5'-trimethoxy groups. Their other ring B was variously substituted. It was found that the antistaphylococcal activity of chalcones was related to the energy difference between the two highest occupied molecular orbitals (HOMO and HOMO-1). Presence of hydroxyl group in ring B was not a determinant factor for the anti-staphylococcal activity, but the lipophilicity of ring A of the hydroxyl chalcones was of importance. (C) 2008 Elsevier Masson SAS. All rights reserved.