5-hydroxy-2-(1'-hydroxy-5'-methyl-4'-hexenyl)benzofuran | 197971-79-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 5-hydroxy-2-(1'-hydroxy-5'-methyl-4'-hexenyl)benzofuran
• 英文别名: 5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran；2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol
• CAS: 197971-79-2
• 化学式: C₁₅H₁₈O₃
• 分子量: 246.306
• InChiKey: PQFYUXKMWDLCDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  53.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯并呋喃-2-甲腈 在 盐酸 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 21.0h， 生成 5-hydroxy-2-(1'-hydroxy-5'-methyl-4'-hexenyl)benzofuran
  参考文献：
  名称：

  Insect Toxins from an Endophytic Fungus from Wintergreen

  摘要：

  Two new compounds, 5-hydroxy-2-(1'-oxo-5'-methyl-4'-hexenyl)benzofuran (1) and 5-hydroxy-2-(1'-hydroxy-5'-methyl-4'-hexenyl)benzo (2), have been isolated via bioassay-directed fractionation of culture extracts of an unidentified endophytic fungus obtained from wintergreen; Gaultheria procumbens L. Their structures have been deduced from spectral data and confirmed by synthesis., Both 1 and 2 show toxicity to spruce budworm (Christoneura fumiferana Clem.) cells, and 1 is also toxic to the larvae.

  DOI：

  10.1021/np970222j

文献信息

• Insect Toxins from an Endophytic Fungus from Wintergreen
  作者：John A. Findlay、Sentsetsa Buthelezi、Guoqiang Li、Michelle Seveck、J. David Miller

  DOI：10.1021/np970222j

  日期：1997.11.1

  Two new compounds, 5-hydroxy-2-(1'-oxo-5'-methyl-4'-hexenyl)benzofuran (1) and 5-hydroxy-2-(1'-hydroxy-5'-methyl-4'-hexenyl)benzo (2), have been isolated via bioassay-directed fractionation of culture extracts of an unidentified endophytic fungus obtained from wintergreen; Gaultheria procumbens L. Their structures have been deduced from spectral data and confirmed by synthesis., Both 1 and 2 show toxicity to spruce budworm (Christoneura fumiferana Clem.) cells, and 1 is also toxic to the larvae.