3-Benzo[1,3]dioxol-5-yl-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylic acid | 162665-04-5

• 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: 3-Benzo[1,3]dioxol-5-yl-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylic acid
• 英文别名: 3-(Benzo[D][1,3]dioxol-5-YL)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylic acid；3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid
• CAS: 162665-04-5
• 化学式: C₁₉H₁₄O₇
• 分子量: 354.316
• InChiKey: MWMSCGMRPOIBHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-Benzo[1,3]dioxol-5-yl-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylic acid ethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.17h， 以83.4%的产率得到3-Benzo[1,3]dioxol-5-yl-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylic acid
  参考文献：
  名称：

  Synthetic and modified isoflavonoids. VI. Synthesis of analogs of pseudobaptigenin with ester groups

  摘要：

  DOI：

  10.1007/bf00630005

文献信息

• [EN] FLAVONOID PPAR AGONISTS<br/>[FR] AGONISTES FLAVONOÏDES DE PPAR
  申请人：UNIV SYDNEY

  公开号：WO2009026657A1

  公开（公告）日：2009-03-05

  The present invention relates to PPAR agonists, and their use in therapy including the treatment of disease. In particular, the invention relates to flavonoid compounds which are PPAR-gamma agonists and/or PPAR alpha/gamma dual agonists.
• [EN] PPAR AGONISTS<br/>[FR] AGONISTES DE PPAR
  申请人：UNIV SYDNEY

  公开号：WO2009026658A1

  公开（公告）日：2009-03-05

  The present invention relates to PPAR agonists and their use in therapy, including the treatment of disease. In particular, the invention relates to compounds which are PPAR-gamma agonists and/or PPAR alpha/gamma dual agonists.
• Synthetic and modified isoflavonoids. VI. Synthesis of analogs of pseudobaptigenin with ester groups
  作者：A. Aitmambetov、V. P. Khilya

  DOI：10.1007/bf00630005

  日期：1994.3