| 79907-46-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• CAS: 79907-46-3
• 化学式: C₇₂H₆₂O₃₄
• 分子量: 1471.26
• InChiKey: YDAIZABSUIKEIQ-UKYIHYDKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.03
• 重原子数：
  106.0
• 可旋转键数：
  21.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  439.26
• 氢给体数：
  0.0
• 氢受体数：
  34.0

反应信息

• 作为产物：
  描述：

  乙酸酐 、 [(2R,3R,4R)-2-(3,4-二羟基苯基)-4-[(2R,3R)-2-(3,4-二羟基苯基)-5,7-二羟基-3-(3,4,5-三羟基苯甲酰基)氧基-色满-8-基]-5,7-二羟基-色满-3-基]3,4,5-三羟基苯甲酸酯 在 吡啶 作用下， 反应 24.0h， 生成
  参考文献：
  名称：

  醋栗木原花色素和间苯三酚衍生物。

  摘要：

  从鼠尾草（Polygonaceae）的地上部分的丙酮-水提取物中的乙酸乙酯可溶级分中，可以得到各种单体黄烷-3-醇（儿茶素，表儿茶素，表儿茶素-3-O-没食子酸酯），A- B型原花青素和炔丙基炔醇（15个二聚体，7个三聚体，2个四聚体）与5种迄今未知的天然产物分离。二聚体：原花青素B1，B2，B3，B4，B5，B7，A2，表阿哌齐林-（4beta-> 8）-表儿茶素，表阿哌齐林-（4beta-> 8）-表儿茶素-3-O-没食子酸酯（新的天然产物），Epiafzelechin-（4β-> 6）-表儿茶素-3-O-没食子酸酯（新天然产物），epiafzelechin-3-O-没食子酸酯-（4beta-> 8）-epicatechin-3-O-没食子酸酯，B2 -3'-O-没食子酸酯，B2-3,3'-二-O-没食子酸酯，B5-3'-O-没食子酸酯和B5-3,3'-二-O-没食子酸酯。三聚体：原花青素C1，表阿奇西林-（4beta->

  DOI：

  10.1016/j.fitote.2009.08.015

文献信息

• Syntheses of procyanidin B2 and B3 gallate derivatives using equimolar condensation mediated by Yb(OTf)3 and their antitumor activities
  作者：Manato Suda、Miyuki Katoh、Kazuya Toda、Kiriko Matsumoto、Koichiro Kawaguchi、Sei-ichi Kawahara、Yasunao Hattori、Hiroshi Fujii、Hidefumi Makabe

  DOI：10.1016/j.bmcl.2013.06.061

  日期：2013.9

  Synthesis of procyanidin B2 and B3 gallate derivatives, 3-O-gallate, 3 ''-O-gallate, and 3,3 ''-di-O-gallate, were synthesized using equimolar condensation mediated by Yb(OTf)(3). Synthesized compounds showed significant antitumor effects against human prostate PC-3 cell lines. Their activities were weaker than well-known EGCG and prodelphinidin B3. (C) 2013 Elsevier Ltd. All rights reserved.
• 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.
• Nonaka, Gen-Ichiro; Nishioka, Itsuo; Nagasawa, Tetsuro, Chemical and pharmaceutical bulletin, 1981, vol. 29, # 10, p. 2862 - 2870
  作者：Nonaka, Gen-Ichiro、Nishioka, Itsuo、Nagasawa, Tetsuro、Oura, Hikokichi

  DOI：——

  日期：——