5-(2-pyron-6-yl)pentan-4-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 5-(2-pyron-6-yl)pentan-4-ol
• 英文别名: 6-(2-Hydroxypentyl)pyran-2-one
• 化学式: C₁₀H₁₄O₃
• 分子量: 182.219
• InChiKey: ACKQNLIHOULTED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-戊基-2H-吡喃-2-酮 以 水 为溶剂， 反应 864.0h， 生成 3-(2-pyron-6-yl)propanoic acid 、 3-(2-pyron-6-yl)propenoic acid 、 5-(2-pyron-6-yl)pentan-4-ol 、 5-(2-pyron-6-yl)pentan-5-ol
  参考文献：
  名称：

  Biotransformation of the Trichoderma Metabolite 6-n-Pentyl-2H-pyran-2-one (6PAP) by Selected Fungal Isolates

  摘要：

  A variety of fungi were tested for their ability to transform the antifungal Trichoderma metabolite 6-n-pentyl-2H-pyran-2-one (6PAP) (1). Three Penicillium isolates, a Sclerotinia isolate, and a Fusarium isolate were all able to rapidly metabolize I and gave mixtures of isomers of monohydroxylated 1 and, in some cases, products resulting from further oxidation to carboxylic acids. Among these products were four previously unidentified metabolites (6, 7, 8, and 9) which were isolated and characterized by NMR spectroscopy. Sphaeropsis sapinea, Ophiostoma quercus, Ophiostoma piceae, a Verticillium sp., and two additional Fusarium isolates were unable to metabolize 1 efficiently.

  DOI：

  10.1021/np980349o

文献信息

• Biotransformation of the <i>Trichoderma</i> Metabolite 6-<i>n</i>-Pentyl-2<i>H</i>-pyran-2-one (6PAP) by Selected Fungal Isolates
  作者：Janine M. Cooney、Denis R. Lauren

  DOI：10.1021/np980349o

  日期：1999.5.1

  A variety of fungi were tested for their ability to transform the antifungal Trichoderma metabolite 6-n-pentyl-2H-pyran-2-one (6PAP) (1). Three Penicillium isolates, a Sclerotinia isolate, and a Fusarium isolate were all able to rapidly metabolize I and gave mixtures of isomers of monohydroxylated 1 and, in some cases, products resulting from further oxidation to carboxylic acids. Among these products were four previously unidentified metabolites (6, 7, 8, and 9) which were isolated and characterized by NMR spectroscopy. Sphaeropsis sapinea, Ophiostoma quercus, Ophiostoma piceae, a Verticillium sp., and two additional Fusarium isolates were unable to metabolize 1 efficiently.

表征谱图