epicatechin-(4β->8)-epicatechin-(4β->8, 2β->O->7)-catechin | 114653-45-1

• 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: epicatechin-(4β->8)-epicatechin-(4β->8, 2β->O->7)-catechin
• 英文别名: Epicatechin-(4beta->8)-epicatechin-(2beta->7,4beta->8)-catechin；(1R,5R,6S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
• CAS: 114653-45-1
• 化学式: C₄₅H₃₆O₁₈
• 分子量: 864.77
• InChiKey: SRWJAXVAWDYXPA-ACNGEOCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  63
• 可旋转键数：
  4
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  320
• 氢给体数：
  14
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  epicatechin-(4β->8)-epicatechin-(4β->8, 2β->O->7)-catechin 在 溶剂黄146 、 苄硫醇 作用下， 以 乙醇 为溶剂， 反应 13.0h， 以28 mg的产率得到4β-benzylthioepicatechin
  参考文献：
  名称：

  Morimoto, Satoshi; Nonaka, Gen-Ichiro; Nishioka, Itsuo, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 1, p. 33 - 38

  摘要：

  DOI：

文献信息

• Structures and Antioxidant and Intestinal Disaccharidase Inhibitory Activities of A-Type Proanthocyanidins from Peanut Skin
  作者：Huiwen Zhang、Yerigui、Yumei Yang、Chaomei Ma

  DOI：10.1021/jf402518k

  日期：2013.9.18

  Nine compounds including a new A-type proanthocyanidin trimer, epicatechin-(2 beta -> O -> 7,4 beta -> 8)-[catechin-(6 -> 4 beta)]-epicatechin (8), and a known trimer, epicatechin-(4 beta -> 8)-epicatechin-(2 beta -> O -> 7,4 beta -> 8)-catechin (9), being reported for peanut skin for the first time, were isolated and purified. Their structures were determined by spectroscopic methods and by degradation reactions with L-cysteine in acidic conditions. The DPPH radical scavenging activity and the inhibitory activity on maltase and sucrase of the isolated compounds were investigated. All compounds showed strong DPPH scavenging activities (EC50 < 20 mu g/mL). Compound 8 showed the strongest inhibitory activity on maltase with an IC50 value of 0.088 mg/mL, while compound 9 exhibited the strongest inhibition on sucrase with an IC50 value of 0.091 mg/mL.
• Morimoto, Satoshi; Nonaka, Gen-Ichiro; Nishioka, Itsuo, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 1, p. 33 - 38
  作者：Morimoto, Satoshi、Nonaka, Gen-Ichiro、Nishioka, Itsuo

  DOI：——

  日期：——