methoxybrassenin B | 142449-75-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: methoxybrassenin B
• 英文别名: 1-methoxybrassenin B；N-[bis(methylsulfanyl)methylidene]-1-methoxyindole-3-carboxamide
• CAS: 142449-75-0
• 化学式: C₁₃H₁₄N₂O₂S₂
• 分子量: 294.398
• InChiKey: NFGCTENDKLNJTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  94.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methoxybrassenin B 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 1.5h， 以0.3 mg的产率得到1-methoxyindole-3-carboxamide
  参考文献：
  名称：

  Methoxybrassenins A and B, sulphur-containing stress metabolites from Brassica oleracea var. Capitata

  摘要：

  Two methoxybrassinin-related stress metabolites, named methoxybrassenins A and B, were isolated from Brassica oleracea var. capitata inoculated with Pseudomonas cichorii. Their structures have been elucidated by spectroscopic and chemical methods. The unusual NMR spectrum of methoxybrassenin B is also discussed in connection with its structure.

  DOI：

  10.1016/0031-9422(91)83435-n

文献信息

• Methoxybrassenins A and B, sulphur-containing stress metabolites from Brassica oleracea var. Capitata
  作者：Kenji Monde、Keiji Sasaki、Akira Shirata、Mitsuo Takasugi

  DOI：10.1016/0031-9422(91)83435-n

  日期：1991.1

  Two methoxybrassinin-related stress metabolites, named methoxybrassenins A and B, were isolated from Brassica oleracea var. capitata inoculated with Pseudomonas cichorii. Their structures have been elucidated by spectroscopic and chemical methods. The unusual NMR spectrum of methoxybrassenin B is also discussed in connection with its structure.