oolongtheanin 3'-O-gallate | 117058-42-1

• 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: oolongtheanin 3'-O-gallate
• 英文别名: oolongtheanin-3'-O-gallate；galloyl oolongtheanin；oolongcatechin-3'-O-gallate；[(2R,3R)-2-[8-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3a,5,6-trihydroxy-3-oxo-8bH-cyclopenta[b][1]benzofuran-1-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
• CAS: 117058-42-1
• 化学式: C₄₃H₃₂O₂₁
• 分子量: 884.714
• InChiKey: YYUUNHNAFZSUQJ-QVWOVXLQSA-N

物化性质

• 密度：
  2.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  64
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  360
• 氢给体数：
  13
• 氢受体数：
  21

反应信息

• 作为反应物：
  描述：

  oolongtheanin 3'-O-gallate 在 单宁酶 、 水 作用下， 反应 0.17h， 以3 mg的产率得到desgalloyl oolongtheanin
  参考文献：
  名称：

  Hashimoto, Fumio; Nonaka, Gen-Ichiro; Nishioka, Itsuo, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 5, p. 1676 - 1684

  摘要：

  DOI：
• 作为产物：
  描述：

  (-)-表没食子儿茶素没食子酸酯 在 polyphenol oxidase 双氧水 、 三氟乙酸 作用下， 以 水 、 乙腈 为溶剂， 反应 3.0h， 生成 oolongtheanin 3'-O-gallate
  参考文献：
  名称：

  [EN] NOVEL COMPOUND HAVING LIPASE INHIBITORY ACTIVITY
  [FR] NOUVEAU COMPOSÉ AYANT UNE ACTIVITÉ INHIBITRICE DE LA LIPASE

  摘要：

  一种具有脂肪酶抑制活性的新型多酚化合物，起源于茶叶；一种制备该化合物的方法；以及含有该化合物的食品或饮料和药物。该化合物是一种新型二聚体化合物，乌龙茶素3'-O-没食子酸酯，其化学式为（1），通过将乌龙茶的主要儿茶素成分表没食子酸3-O-没食子酸酯与茶叶酶（多酚氧化酶）进行氧化聚合得到。该食品或饮料和药物组成物均含有该新型化合物，能够抑制从饮食中摄取的脂肪被吸收，从而抑制血液中的中性脂肪水平增加。

  公开号：

  WO2005123725A1

文献信息

• Beverage containing tea polymerized polyphenol and RebD and/or RebM
  申请人：SUNTORY HOLDINGS LIMITED

  公开号：US10645943B2

  公开（公告）日：2020-05-12

  Tea polymerized polyphenol-containing beverages having reduced bitterness and astringency of tea polymerized polyphenols while maintaining tea-like preferable flavors, methods of production thereof, and the like are provided. The content of tea polymerized polyphenols in a beverage is adjusted to within a certain range, the total content of RebM and RebD in the beverage is adjusted to within a certain range, and the weight ratio of the total content of RebD and RebM to the content of the tea polymerized polyphenols is adjusted to within a certain range.

  本发明提供了既能降低茶多酚的苦味和涩味，又能保持茶味的含茶多酚饮料及其生产方法等。饮料中茶多酚的含量被调整到一定范围内，饮料中 RebM 和 RebD 的总含量被调整到一定范围内，RebD 和 RebM 的总含量与茶多酚含量的重量比被调整到一定范围内。
• Isolation of key intermediates during formation of oolongtheanins
  作者：Sayumi Hirose、Kaoru Tomatsu、Emiko Yanase

  DOI：10.1016/j.tetlet.2013.10.069

  日期：2013.12

  Oolongtheanin-3'-O-gallate (2b) was obtained by treatment of (-)-EGCg (1d) with CuCl2. This transformation was achieved over three steps, with the isolation of two intermediates; their chemical structures were determined through derivatization reactions, MS, and 1D/2D NMR techniques. One intermediate was identified as dehydrotheasinensin A (3); the other was identified as the novel dimer pro-oolongtheanin-3'-O-gallate (6). Compound 3 was converted to 6 by heating in aprotic solvent, and compound 6 was converted to 2b by addition of water. (C) 2013 Elsevier Ltd. All rights reserved.
• Polyphenols from Oolong tea having inhibitory effect on lipase
  申请人：Suntory Holdings Limited

  公开号：EP1783127B1

  公开（公告）日：2016-03-30
• Oxidized tea polyphenol (OTP-3) targets EGFR synergistic nimotuzumab at inhibition of non-small cell lung tumor growth
  作者：Yanping Huang、Xiangdan Cuan、Xingying Yang、Weiwei Zhu、Yunli Zhao、Li Jiang、Chengting Zi、Xuanjun Wang、Jun Sheng

  DOI：10.1016/j.bioorg.2022.106084

  日期：2022.11
• FLAVOR ENHANCING AGENT AND FLAVORING COMPOSITION
  申请人：Nonaka Yuji

  公开号：US20110281006A1

  公开（公告）日：2011-11-17

  There are provided a flavor enhancing agent which is capable of selectively enhancing the flavor of a flavoring of interest, as well as a flavoring composition and a drink that contain the agent and which are enhanced in flavor. Specifically, a polymerized catechin is used with a flavoring.