| 79907-47-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• CAS: 79907-47-4
• 化学式: C₆₁H₅₄O₂₈
• 分子量: 1235.08
• InChiKey: UDYHCLXTYIKAEU-VWFBZBSASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.96
• 重原子数：
  89.0
• 可旋转键数：
  17.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  360.36
• 氢给体数：
  0.0
• 氢受体数：
  28.0

反应信息

• 作为产物：
  描述：

  乙酸酐 、 原花青素B13-O-没食子酸酯 以 吡啶 为溶剂， 生成
  参考文献：
  名称：

  Nonaka, Gen-Ichiro; Nishioka, Itsuo; Nagasawa, Tetsuro, Chemical and pharmaceutical bulletin, 1981, vol. 29, # 10, p. 2862 - 2870

  摘要：

  DOI：

文献信息

• Systematic synthesis of galloyl-substituted procyanidin B1 and B2, and their ability of DPPH radical scavenging activity and inhibitory activity of DNA polymerases
  作者：Akiko Saito、Yoshiyuki Mizushina、Hiroshi Ikawa、Hiromi Yoshida、Yuki Doi、Akira Tanaka、Noriyuki Nakajima

  DOI：10.1016/j.bmc.2005.02.023

  日期：2005.4

  Six galloyl-substituted procyanidin B1 and B2, 3-O-gallate, 3"-O-gallate, and 3,3"-di-O-gallate, were systematically synthesized with the condensation method using TMSOTf as a catalyst. Their ability of DPPH radical scavenging activity and DNA polymerase inhibitory activity were also investigated. The results indicated that the galloyl group of these compounds is very important for both activities. 3,3"-Di-O-gallate dimers acted as strong inhibitor against DNA polymerase alpha and beta, whereas the desgalloyl and monogalloyl compounds did not exhibit any appreciable inhibitory activity against the DNA polymerase beta. (c) 2005 Elsevier Ltd. All rights reserved.