4-O-acetylchlorogenic acid | 1415343-88-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-O-acetylchlorogenic acid
• 英文别名: (1S,3R,4R,5R)-4-acetyloxy-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxycyclohexane-1-carboxylic acid
• CAS: 1415343-88-2
• 化学式: C₁₈H₂₀O₁₀
• 分子量: 396.351
• InChiKey: BRMYXJWXTCELRG-APTFEVBOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  171
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  乙酸乙烯酯 、 (-)-5-咖啡酰奎宁酸 在 lipozyme RM from Rhizomucor miehei 作用下， 生成 4-O-acetylchlorogenic acid
  参考文献：
  名称：

  The inhibitory mechanism of chlorogenic acid and its acylated derivatives on α-amylase and α-glucosidase

  摘要：

  DOI：

  10.1016/j.foodchem.2021.131334

文献信息

• Antioxidant activities of chlorogenic acid derivatives with different acyl donor chain lengths and their stabilities during in vitro simulated gastrointestinal digestion
  作者：Shan Wang、Yue Li、Xiangyong Meng、Shangwei Chen、Dejian Huang、Yongmei Xia、Song Zhu

  DOI：10.1016/j.foodchem.2021.129904

  日期：2021.9
• Formation of Ester and Amine Derivatives of 5-<i>O</i>-Caffeoylquinic Acid in the Process of Its Simulated Extraction
  作者：Andrzej L. Dawidowicz、Rafal Typek

  DOI：10.1021/jf3029682

  日期：2012.12.19

  Chlorogenic acid (CQA), the ester of caffeic acid with quinic acid, supplied to human organisms mainly through coffee, tea, fruits, and vegetables, is one of the most studied polyphenols. It is potentially useful in pharmaceuticals, foodstuffs, feed additives, and cosmetics due to its recently discovered biomedical activity. This finding caused new interest in its properties, its isomers, and its natural occurrence. The presented study shows that 5-O-caffeoylquinic acid, during its buffered water extraction, not only undergoes such transformation as isomerization, water molecule addition, and hydrolysis but also reacts with buffer components forming its derivatives. The amount of each formed component depends on the heating time, buffer pH, and buffer type. Although the concentrations of these components are low, they can be mistakenly treated as a new component not previously found in the examined plant or can be a cause of erroneous quantitative estimations of plant composition.
• CYCLOHEXANECARBOXYLIC ACIDS FOR SELECTIVE TASTE MASKING
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：US20180103668A1

  公开（公告）日：2018-04-19

  The use of cyclohexanecarboxylic acids in a consumable to provide taste specific masking effect is provided.