1-(4-Hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione | 138349-28-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1-(4-Hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
• 英文别名: 1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
• CAS: 138349-28-7
• 化学式: C₂₀H₁₈O₄
• 分子量: 322.361
• InChiKey: IXAWLSRQOILGEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  、 feruloyl-CoA 、 丙二酰辅酶A-钠盐 在 Huperzia serrata type III polyketide synthase 作用下， 以 aq. phosphate buffer 、 二甲基亚砜 为溶剂， 反应 12.0h， 生成 1-(4-Hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
  参考文献：
  名称：

  Synthesis of Unnatural 2-Substituted Quinolones and 1,3-Diketones by a Member of Type III Polyketide Synthases from Huperzia serrata

  摘要：

  A curcuminoids, benzalacetone-, and quinolone-producing type III polyketide synthase (HsPKS3) from Huperzia serrata uniquely catalyzes the formation of unnatural 2-substituted quinolones and 1,3-diketones via head-to-head condensation of two completely different substrates. The broad range of substrate tolerance of HsPKS3 facilitates accessing structurally diverse 2-substituted quinolones and 1,3-diketones.

  DOI：

  10.1021/acs.orglett.6b01501

文献信息

• Synthesis of Unnatural 2-Substituted Quinolones and 1,3-Diketones by a Member of Type III Polyketide Synthases from <i>Huperzia serrata</i>
  作者：Juan Wang、Xiao-Hui Wang、Xiao Liu、Jun Li、Xiao-Ping Shi、Yue-Lin Song、Ke-Wu Zeng、Le Zhang、Peng-Fei Tu、She-Po Shi

  DOI：10.1021/acs.orglett.6b01501

  日期：2016.8.5

  A curcuminoids, benzalacetone-, and quinolone-producing type III polyketide synthase (HsPKS3) from Huperzia serrata uniquely catalyzes the formation of unnatural 2-substituted quinolones and 1,3-diketones via head-to-head condensation of two completely different substrates. The broad range of substrate tolerance of HsPKS3 facilitates accessing structurally diverse 2-substituted quinolones and 1,3-diketones.