3-(1,1-Dimethylallyl)-6-hydroxycoumarin

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-(1,1-Dimethylallyl)-6-hydroxycoumarin
• 英文别名: 6-hydroxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
• 化学式: C₁₄H₁₄O₃
• 分子量: 230.26
• InChiKey: WMKDFUSWUSQPLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Compound 3-(1, 1-Dimethyl-Allyl)-6-Hydroxy-Chromen-2-One and its Pharmaceutically Acceptable Salts Thereof
  申请人：Das Hasi Rani

  公开号：US20080227854A1

  公开（公告）日：2008-09-18

  Accordingly the present invention describes the anti-inflammatory compound 3-(1,1-dimethyl-allyl)-6-hydroxy-chromen-2-one isolated from the Ruta graveolens L. plant for the inhibition of inos gene thereby reducing nitric oxide level that increases significantly in inflammatory diseases. Thus the present invention relates to the discovery of lead compound for therapeutic intervention of the inflammatory diseases such as rheumatoid arthritis, systemic lupus erythrematosus, osteoarthritis and others, by the inhibition of inos gene and nitric oxide