[4-(2-aminoethylsulfanyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

• 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: [4-(2-aminoethylsulfanyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₂₄H₂₃NO₁₀S
• 分子量: 517.5
• InChiKey: BUOJWHRWJNBBQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  229
• 氢给体数：
  8
• 氢受体数：
  12

文献信息

• FLAVANOL AND CYSTEAMINE CONJUGATES
  申请人：CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

  公开号：EP1352905A1

  公开（公告）日：2003-10-15

  The present invention refers to new products generated by the conjugation of flavanols with molecules that contain the thiol group. New molecules are obtained from polyphenolic plant extracts rich in oligomeric and polymeric procyanidines and prodelfinidins. In this way, new products are generated with antioxidant properties for application as protective agents for the organism against disorders such as cancer, cardiovascular diseases and premature aging. The invention also refers to obtaining these new agents from waste material generated by the agroalimentary industry. Since these waste materials are highly complex mixtures a simple and effective method is described to isolate and purify these, based on the physico-chemical characteristics of the new molecules.

  该发明涉及由黄烷醇与含硫醇基团的分子结合而生成的新产品。从富含寡聚和聚合原花青素和原槲皮素的多酚植物提取物中获得新分子。通过这种方式，生成具有抗氧化性质的新产品，可作为保护剂应用于机体，抵御癌症、心血管疾病和过早衰老等疾病。该发明还涉及从农业食品工业产生的废弃物材料中获取这些新药剂。由于这些废弃物材料是高度复杂的混合物，因此描述了一种简单有效的方法来分离和纯化这些物质，基于新分子的物理化学特性。
• Flavanol and cysteamine conjugates
  申请人：——

  公开号：US20040077711A1

  公开（公告）日：2004-04-22

  The present invention refers to new products generated by the conjugation of flavanols with molecules that contain the thiol group. New molecules are obtained from polyphenolic plant extracts rich in oligomeric and polymeric procyanidines and prodelfinidins. In this way, new products are generated with antioxidant properties for application as protective agents for the organism against disorders such as cancer, cardiovascular diseases and premature aging. The invention also refers to obtaining these new agents from waste material generated by the agroalimentary industry. Since these waste materials are highly complex mixtures a simple and effective method is described to isolate and purify these, based on the physico-chemical characteristics of the new molecules.

  本发明指的是黄烷醇与含有硫醇基团的分子共轭生成的新产品。新分子是从富含低聚和聚合原花青素和原花青素的多酚植物提取物中获得的。这样就产生了具有抗氧化特性的新产品，可用作机体的保护剂，防止癌症、心血管疾病和过早衰老等疾病。本发明还涉及从农产品加工业产生的废料中获取这些新制剂。由于这些废料是高度复杂的混合物，本发明介绍了一种简单有效的方法，可根据新分子的物理化学特性对其进行分离和纯化。
• US6936726B2
  申请人：——

  公开号：US6936726B2

  公开（公告）日：2005-08-30