3-hydroxymedicarpin | 61135-92-0

• 物质功能分类: 天然产物 - 酚类
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3-hydroxymedicarpin
• 英文别名: 6alpha-Hydroxymedicarpin；(6aS,11aS)-9-methoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
• CAS: 61135-92-0
• 化学式: C₁₆H₁₄O₅
• 分子量: 286.284
• InChiKey: SXKBOSYKWYQHMV-JKSUJKDBSA-N

物化性质

• 沸点：
  487.0±45.0 °C(Predicted)
• 密度：
  1.456±0.06 g/cm3(Predicted)
• 溶解度：
  溶于氯仿、二氯甲烷、乙酸乙酯、DMSO、丙酮等。

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  68.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (6aS,11aS)-3-O-β-D-glucopyranosyl-6a-hydroxy-9-methoxypterocarpan 在 alpha-L-rhamnosidase 作用下， 以 acetate buffer 为溶剂， 反应 12.0h， 以1.7 mg的产率得到3-hydroxymedicarpin
  参考文献：
  名称：

  Flavonoids from Glycyrrhiza pallidiflora hairy root cultures

  摘要：

  Three flavonoids named licoagrosides D, E and F together with four known flavonoids, medicarpin 3-O-glucoside, calycosin 7-O-glucoside, formononetin 7-O-(6"-malonylglucoside) and 2'-hydroxyformononetin 7-O-glucoside were isolated from Glycyrrhiza pallidiflora hairy root cultures. Their structures were determined on the basis of spectroscopic evidence. Licoagrosides E and F are the first examples of a 6a-hydroxypterocarpan glycoside and an alpha-O-alycosidic alpha-hydroxydihydrochalcone, respectively. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(02)00093-6

文献信息

• Flavonoids from Glycyrrhiza pallidiflora hairy root cultures
  作者：Wei Li、Kazuo Koike、Yoshihisa Asada、Masao Hirotani、Hekai Rui、Takafumi Yoshikawa、Tamotsu Nikaido

  DOI：10.1016/s0031-9422(02)00093-6

  日期：2002.6

  Three flavonoids named licoagrosides D, E and F together with four known flavonoids, medicarpin 3-O-glucoside, calycosin 7-O-glucoside, formononetin 7-O-(6"-malonylglucoside) and 2'-hydroxyformononetin 7-O-glucoside were isolated from Glycyrrhiza pallidiflora hairy root cultures. Their structures were determined on the basis of spectroscopic evidence. Licoagrosides E and F are the first examples of a 6a-hydroxypterocarpan glycoside and an alpha-O-alycosidic alpha-hydroxydihydrochalcone, respectively. (C) 2002 Elsevier Science Ltd. All rights reserved.