(2R)-2-amino-3-[[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]sulfanyl]propanoic acid | 800386-06-5

• 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: (2R)-2-amino-3-[[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]sulfanyl]propanoic acid
• CAS: 800386-06-5
• 化学式: C₄₈H₄₃NO₂₀S
• 分子量: 985.93
• InChiKey: ZTLZQVQUYDKQLK-VSCKHSBDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  70
• 可旋转键数：
  9
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  420
• 氢给体数：
  17
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  grape seed polyphenol 、 L-半胱氨酸 生成 4β-(S-L-cysteinyl)-(-)-epigallocatechin 、 (2R)-2-amino-3-[[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]sulfanyl]propanoic acid 、 4β-(S-L-cysteinyl)-(-)-epicatechin-(4β->8)-(-)-epicatechin 、 4β-(S-cysteinyl)catechin 、 4-β-(S-cysteinyl)epicatechin
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• SULFUR-CONTAINING PROANTHOCYANIDIN OLIGOMER COMPOSITION AND PRODUCTION METHOD THEREOF
  申请人：NONAKA Gen-ichiro

  公开号：US20110021792A1

  公开（公告）日：2011-01-27

  Provided are: method of producing a sulfur-containing proanthocyanidin oligomer by reducing the molecular weight of proanthocyanidin in plants so that they can be readily absorbed through the intestine of an organism; and a health food composition and a pharmaceutical composition which contain the resultant sulfur-containing proanthocyanidin oligomer as an active ingredient and which are useful for treating and preventing various lifestyle-related diseases and brain diseases caused by generation of active oxygen species as well as for preventing aging.
• US7833553B2
  申请人：——

  公开号：US7833553B2

  公开（公告）日：2010-11-16
• US7939116B2
  申请人：——

  公开号：US7939116B2

  公开（公告）日：2011-05-10
• US8088419B2
  申请人：——

  公开号：US8088419B2

  公开（公告）日：2012-01-03