7-ethenyl-8-(4-hydroxy-3-methoxyphenyl)-3,8a-diphenyl-5,8-dihydro-4aH-naphthalene-1,4-dione

• 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: 7-ethenyl-8-(4-hydroxy-3-methoxyphenyl)-3,8a-diphenyl-5,8-dihydro-4aH-naphthalene-1,4-dione
• 化学式: C₃₁H₂₆O₄
• 分子量: 462.5
• InChiKey: VGRSXGUGAFLONN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Generation of skeletal diversity within a combinatorial library
  申请人：——

  公开号：US20040214232A1

  公开（公告）日：2004-10-28

  The present invention provides a method of synthesizing a library of chemical compounds with skeletal diversity. Two approaches are used to create skeletal diversity within a library of chemical compounds: (1) the “branching pathways” (or reagent-based) approach; and (2) the “folding pathways” (or substrate-based) approach. Upon exposure to certain reaction conditions the members of the library undergo unique transformations into a diverse collection of molecular skeletons, which can be functionalized and derivatized further to generate a large collection of unique, natural product-like compounds. A furan-based library synthesized using the folding pathways approach is provided, and a polycyclic library created using the braching pathways approach is also provided. The invention also provides materials, reagents, intermediates, and kits useful in the practice of the inventive method as well as method for screening the inventive compounds.

  本发明提供了一种合成具有骨架多样性的化合物库的方法。有两种方法可用于在化合物库中创造骨架多样性：(1) "分支途径"（或基于试剂）方法；(2) "折叠途径"（或基于底物）方法。在特定的反应条件下，化合物库中的成员会发生独特的转化，形成多种多样的分子骨架，这些分子骨架可以进一步官能化和衍生化，生成大量独特的、类似天然产物的化合物。本发明提供了一种利用折叠途径方法合成的呋喃类化合物库，还提供了一种利用制备途径方法创建的多环化合物库。本发明还提供了在实施本发明方法时有用的材料、试剂、中间体和试剂盒，以及筛选本发明化合物的方法。