(3R),5-dihydroxy-(4S)-methyl-3,4-dihydro-2,9,10-(2H)-1-azaanthracenetrione | 1309356-18-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (3R),5-dihydroxy-(4S)-methyl-3,4-dihydro-2,9,10-(2H)-1-azaanthracenetrione
• 英文别名: laoticuzanone A；(3R,4S)-3,6-dihydroxy-4-methyl-3,4-dihydro-1H-benzo[g]quinoline-2,5,10-trione
• CAS: 1309356-18-0
• 化学式: C₁₄H₁₁NO₅
• 分子量: 273.245
• InChiKey: TUNMBIRKCXOVMR-ULHQUTTKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3R),5-dihydroxy-(4S)-methyl-3,4-dihydro-2,9,10-(2H)-1-azaanthracenetrione 、 甲氧基-三氟甲基苯 在 吡啶 作用下， 生成
  参考文献：
  名称：

  A new cytotoxic 1-azaanthraquinone from the stems of Goniothalamus laoticus

  摘要：

  A new 1-azaanthraquinone, named laoticuzanone A (1), and a synthetically known 3-methyl-1H-1-azaanthracene-2,9,10-trione (2), together with four known compounds, Griffithazanone A (3), methyl sinapate (4), methyl p-coumarate (5), and p-hydroxyphenylethyl p-coumarate (6) were isolated from the stems of Goniothalamus laoticus. Their structures were established on the basis of spectroscopic data as well as comparisons with the previous literature data. Compound 1 showed the highest cytotoxicity against KB and HeLa cells with IC(50) values of 0.68 and 0.50 mu g/ml, respectively. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.fitote.2010.05.019