(2R,3R)-3,3',4',5,7-tetrahydroxy-3'-methoxy-6-[6-hydroxy-3,7-dimethyl-2(E),7-octadienyl]flavanone | 1011739-22-2

• 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: (2R,3R)-3,3',4',5,7-tetrahydroxy-3'-methoxy-6-[6-hydroxy-3,7-dimethyl-2(E),7-octadienyl]flavanone
• 英文别名: 3,3',4',5,7-pentahydroxy-6-[6-hydroxy-3,7-dimethyl-2(E),7-octadienyl]flavanone；(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2,3-dihydrochromen-4-one
• CAS: 1011739-22-2
• 化学式: C₂₅H₂₈O₈
• 分子量: 456.493
• InChiKey: NTMQNHBCKRVTCV-MZCZFRPSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  148
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 (2R,3R)-3,3',4',5,7-tetrahydroxy-3'-methoxy-6-[6-hydroxy-3,7-dimethyl-2(E),7-octadienyl]flavanone 以 乙醚 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  Geranylated flavanones from the secretion on the surface of the immature fruits of Paulownia tomentosa

  摘要：

  Chemical investigation of the methanol extract of the viscous secretion on the surface of immature fruits of Paulownia tomentosa furnished nine geranylated flavanones, 6-geranyl-5,7-dihydroxy-3',4'-dimethoxyflavanone (1), 6-geranyl-3',5,7-trihydroxy-4'-methoxyflavanone (2), 6-geranyl-4',5,7-trihydroxy-3,5'-dimethoxyflavanone (3), 6-geranyl-4,5,5',7-tetrahydroxy-3-methoxyflavanone (4), 6-geranyl-3,3',5,7-tetrahydroxy-4'-methoxyflavanone (5), 4',5,5',7-tetrahydroxy-6-[6-hydroxy-3,7-dimethyl-2(E),7-octadienyl]-3'-methoxyflavanone (6), 3,3',4!,5,7-pentahydroxy-6-[6-hydroxy-3,7-dimethyl-2(E),7-octadienyl]flavanone (7), 3,3',4!,5,7-pentahydroxy-6-[7-hydroxy-3,7-dimethyl-2(E)-octenyllflavanone (8), and 3,4',5,5',7-pentahydroxy-3'-methoxy-6-(3-methyl-2-butenyl)flavanone (9), along with six known geranylated flavanones. Among these, compounds 4, 6-9 and the known 6-geranyl-3',4',5,7-tetraahydroxyflavanone (diplacone), 6-geranyl-3,3', 4',5,7-pentahydroxyflavanone (diplacol) and 3',4',5,7-pentahydroxy-6-[7-hydroxy-3,7-dimethyl-2(E)-octenyl]flavanone showed potent radical scavenging effects towards DPPH radicals. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2007.11.011