alternarosin A | 1184182-75-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: alternarosin A
• 英文别名: bis(dethiodi(methylthio))acetylaranotin；9'-O-deacetylbisdethiobis(methylthio)acetylaranotin；[(1R,4S,5S,12R,15S,16S)-16-hydroxy-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.03,12.04,10.015,21]docosa-6,9,17,20-tetraen-5-yl] acetate
• CAS: 1184182-75-9
• 化学式: C₂₂H₂₄N₂O₇S₂
• 分子量: 492.574
• InChiKey: FKTWUGWPZKJARC-NEEVBFIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  156
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  alternarosin A 、 乙酸酐 以 吡啶 为溶剂， 以1.8 mg的产率得到bisdethiobis(methylthio)acetylaranotin
  参考文献：
  名称：

  Cerebrosides of the Halotolerant Fungus Alternaria raphani Isolated from a Sea Salt Field

  摘要：

  In order to search for structurally novel and bioactive natural compounds from marine-derived fungi, a halotolerant fungal strain (THW-18) identified as Alternaria raphani was isolated from sediment collected in the Hongdao sea salt field. From the ethyl acetate extract of Alteniaria raphani, three new cerebrosides, alternarosides A-C (1-3), and a new diketopiperazine alkaloid, alternarosin A (4), together with 15 known compounds were isolated and identified by spectroscopic and chemical methods, as well as X-ray crystal diffraction analysis. Compounds 1-4 showed weak antibacterial activity against Escherichia coli, Bacillus subtilis, and Candida albicans with MIC values ranging from 70 to 400 mu M..

  DOI：

  10.1021/np9002299