5,7,2'-trihydroxy-6-(3,3-dimethylallyl)-[6'',6''-dimethylpyrano (2'',3'':4',5')]-isoflavone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 5,7,2'-trihydroxy-6-(3,3-dimethylallyl)-[6'',6''-dimethylpyrano (2'',3'':4',5')]-isoflavone
• 英文别名: kraussianone 2；5,7-Dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one
• 化学式: C₂₅H₂₄O₆
• 分子量: 420.462
• InChiKey: BKDCZFLMVDSLJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  96.2
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5,7,2'-trihydroxy-6-(3,3-dimethylallyl)-[6'',6''-dimethylpyrano (2'',3'':4',5')]-isoflavone 在 磷酸 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以5.5 mg的产率得到5-Hydroxy-3-(7-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-8,8-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-4-one
  参考文献：
  名称：

  Minor pyrano-isoflavones from Eriosema kraussianum: activity-, structure-, and chemical reaction studies

  摘要：

  The isolation and identification of two minor pyrano-isoflavones from Eriosema kraussianum is described. New studies on the original pyrano-isoflavones shows that: (i) kraussianone 2 (a major compound in the plant) can be cyclised under acid conditions, (ii) kraussianones 3 and 5 cause contraction (not relaxation as anticipated) of corpus cavernosum tissue and (iii) the structures proposed previously for 4 and 5 are confirmed by the data obtained from an X-ray study of 5. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2004.04.030