5,7,3',4'-tetrahydroxy-6'-(2-undecanonyl)-3-O-β-D-galactopyranosyl flavonoid | 1370730-85-0

• 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: 5,7,3',4'-tetrahydroxy-6'-(2-undecanonyl)-3-O-β-D-galactopyranosyl flavonoid
• 英文别名: houttuynoid Ε；houttuynoid E；2-[4,5-dihydroxy-2-(2-oxoundecyl)phenyl]-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
• CAS: 1370730-85-0
• 化学式: C₃₂H₄₀O₁₃
• 分子量: 632.662
• InChiKey: VCNWTZPWIVDHGN-SLBJRTIWSA-N

物化性质

• 沸点：
  915.3±65.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  45
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  224
• 氢给体数：
  8
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  5,7,3',4'-tetrahydroxy-6'-(2-undecanonyl)-3-O-β-D-galactopyranosyl flavonoid 在 盐酸 作用下， 反应 2.0h， 生成 D-吡喃葡萄糖
  参考文献：
  名称：

  Houttuynoids A–E, Anti-Herpes Simplex Virus Active Flavonoids with Novel Skeletons from Houttuynia cordata

  摘要：

  Houltuynoids A-E (1-5), a new type of flavonoid with houttuynin tethered to hyperoside, and their presumed biosynthetic precursor hyperoside (6) were isolated from the whole plant of Houttuynia cordata. Their structures were elucidated by analysis of 10 and 20 NMR. A hypothetical biogenetic pathway for houttuynoids A-E was proposed. Compounds 1-5 exhibited potent anti-HSV (herpes simplex viruses) activity.

  DOI：

  10.1021/ol300017m

文献信息

• Houttuynoids A–E, Anti-Herpes Simplex Virus Active Flavonoids with Novel Skeletons from <i>Houttuynia cordata</i>
  作者：Shao-Dan Chen、Hao Gao、Qin-Chang Zhu、Ya-Qi Wang、Ting Li、Zhen-Qiang Mu、Hong-Ling Wu、Tao Peng、Xin-Sheng Yao

  DOI：10.1021/ol300017m

  日期：2012.4.6

  Houltuynoids A-E (1-5), a new type of flavonoid with houttuynin tethered to hyperoside, and their presumed biosynthetic precursor hyperoside (6) were isolated from the whole plant of Houttuynia cordata. Their structures were elucidated by analysis of 10 and 20 NMR. A hypothetical biogenetic pathway for houttuynoids A-E was proposed. Compounds 1-5 exhibited potent anti-HSV (herpes simplex viruses) activity.