1,3,6,8-Tetrahydroxy-2-(1-hydroxy-3-oxo-butyl)-anthraquinone

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,3,6,8-Tetrahydroxy-2-(1-hydroxy-3-oxo-butyl)-anthraquinone
• 英文别名: Asparasone A；1,3,6,8-tetrahydroxy-2-(1-hydroxy-3-oxobutyl)anthracene-9,10-dione
• 化学式: C₁₈H₁₄O₈
• 分子量: 358.304
• InChiKey: JXNCVINFWDAYCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  152
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 1,3,6,8-Tetrahydroxy-2-(1-hydroxy-3-oxo-butyl)-anthraquinone 在 吡啶 作用下， 以 氯仿 为溶剂， 生成 Acetic acid 5,7-diacetoxy-4-hydroxy-9,10-dioxo-3-((E)-3-oxo-but-1-enyl)-9,10-dihydro-anthracen-2-yl ester
  参考文献：
  名称：

  Isolation and Structure Elucidation of a New Metabolite Produced by Aspergillus parasiticus

  摘要：

  A new metabolite, 1,3,6,8-tetrahydroxy-2-(1'-hydroxy-3'-oxobutyl)-arthraquinone, designated as asparasone A (1), was isolated from an Aspergillus parasiticus mutant (ATCC 20979), and its structure was deduced from spectral data. Several wild-type isolates of A. parasiticus also produced 1. Asparasone A (1) is structurally related to intermediates in the aflatoxin biosynthetic pathway.

  DOI：

  10.1021/np970131m