1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione catechin cocrystal

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione catechin cocrystal
• 英文别名: caffeine catechin cocrystal；(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;1,3,7-trimethylpurine-2,6-dione
• 化学式: C₈H₁₀N₄O₂*C₁₅H₁₄O₆
• 分子量: 484.466
• InChiKey: DTRXIZNWOIOVOH-NQQJLSKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.52
• 重原子数：
  35
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  169
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  咖啡因 、 儿茶提取物 以 水 为溶剂， 反应 3.5h， 生成 1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione catechin cocrystal
  参考文献：
  名称：

  [EN] NOVEL CAFFEINE COCRYSTALS AND THEIR POLYMORPHIC FORMS
  [FR] NOUVEAUX CO-CRISTAUX DE CAFÉINE ET LEUR FORMES POLYMORPHES

  摘要：

  本发明涉及咖啡因的新型共晶及其多晶形式。

  公开号：

  WO2017009813A1

文献信息

• COMPOSITION CONTAINING LICORICE-DERIVED POLYPHENOL
  申请人：Kaneka Corporation

  公开号：EP2163252A1

  公开（公告）日：2010-03-17

  A composition containing a licorice polyphenol and other active ingredient (antioxidant ingredient, polyphenol other than licorice polyphenol or a component relating to lipid absorption or metabolism) is highly safe, can be produced easily, and can be utilized for foods and drinks such as health food, food with health claims (specified health food, food with nutrient function claims) and the like, pharmaceutical products, quasi-drugs, cosmetics and the like. In addition, since the composition has a body fat accumulation suppressing effect, a body fat decomposition promoting effect or energy production promoting effect, it is useful for the treatment of obesity, metabolic syndrome and the like.

  含有甘草多酚和其他活性成分（抗氧化成分、甘草多酚以外的多酚或与脂质吸收或代谢有关的成分）的组合物安全性高，易于生产，可用于保健食品、健康声称食品（指定保健食品、营养功能声称食品）等食品和饮料、医药产品、准药品、化妆品等。此外，由于该组合物具有抑制体内脂肪堆积的效果、促进体内脂肪分解的效果或促进能量产生的效果，因此可用于治疗肥胖症、代谢综合征等。
• Composition comprising licorice polyphenol
  申请人：Sakamoto Hirokazu

  公开号：US20080286254A1

  公开（公告）日：2008-11-20

  A composition containing a licorice polyphenol and other active ingredient (antioxidant ingredient, polyphenol other than licorice polyphenol or a component relating to lipid absorption or metabolism) is highly safe, can be produced easily, and can be utilized for foods and drinks such as health food, food with health claims (specified health food, food with nutrient function claims) and the like, pharmaceutical products, quasi-drugs, cosmetics and the like. In addition, since the composition has a body fat accumulation suppressing effect, a body fat decomposition promoting effect or energy production promoting effect, it is useful for the treatment of obesity, metabolic syndrome and the like.
• [EN] NOVEL CAFFEINE COCRYSTALS AND THEIR POLYMORPHIC FORMS<br/>[FR] NOUVEAUX CO-CRISTAUX DE CAFÉINE ET LEUR FORMES POLYMORPHES
  申请人：LAURUS LABS PRIVATE LTD

  公开号：WO2017009813A1

  公开（公告）日：2017-01-19

  The present invention relates to novel cocrystals of caffeine and their polymorphic forms.

  本发明涉及咖啡因的新型共晶及其多晶形式。