2-O-caffeoyl-(+)-allohydroxycitric acid | 62345-87-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-O-caffeoyl-(+)-allohydroxycitric acid
• 英文别名: (1S,2R)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropane-1,2,3-tricarboxylic acid
• CAS: 62345-87-3
• 化学式: C₁₅H₁₄O₁₁
• 分子量: 370.27
• InChiKey: OUWOVSUGDPWIBY-NKZHAWSJSA-N

物化性质

• 沸点：
  632.6±55.0 °C(Predicted)
• 密度：
  1.749±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  199
• 氢给体数：
  6
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2-O-caffeoyl-(+)-allohydroxycitric acid 在 acid 作用下， 生成 hibiscus acid
  参考文献：
  名称：

  Antiviral caffeoyl esters from Spondias mombin

  摘要：

  Two caffeoyl esters with antiviral properties were isolated from the leaves and stems of Spondias mombin by means of a bioguided assay. 2-O-Caffeoyl-(+)-allohydroxycitric acid and chlorogenic acid butyl ester showed antiviral activities against Coxsackie and Herpes simplex viruses, respectively. The latter compound was probably an artefact formed during the isolation. Chlorogenic acid showed no antiviral activity.

  DOI：

  10.1016/0031-9422(92)80344-e

文献信息

• Antiviral caffeoyl esters from Spondias mombin
  作者：J. Corthout、L. Pieters、M. Claeys、D.Vanden Berghe、A. Vlietinck

  DOI：10.1016/0031-9422(92)80344-e

  日期：1992.6

  Two caffeoyl esters with antiviral properties were isolated from the leaves and stems of Spondias mombin by means of a bioguided assay. 2-O-Caffeoyl-(+)-allohydroxycitric acid and chlorogenic acid butyl ester showed antiviral activities against Coxsackie and Herpes simplex viruses, respectively. The latter compound was probably an artefact formed during the isolation. Chlorogenic acid showed no antiviral activity.