3,9-Dimethyl-7,8-dioxo-7,8-dihydro-benzo[de]chromene-6-carboxylic acid methyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3,9-Dimethyl-7,8-dioxo-7,8-dihydro-benzo[de]chromene-6-carboxylic acid methyl ester
• 英文别名: Methyl 4,12-dimethyl-10,11-dioxo-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-8-carboxylate
• 化学式: C₁₆H₁₂O₅
• 分子量: 284.268
• InChiKey: REFHAZQNBXROMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-Hydroxy-3,9-dimethyl-7,8-dioxo-2,3,7,8-tetrahydro-benzo[de]chromene-6-carboxylic acid methyl ester 在 乙醇 、 硫酸 作用下， 生成 3,9-Dimethyl-7,8-dioxo-7,8-dihydro-benzo[de]chromene-6-carboxylic acid methyl ester
  参考文献：
  名称：

  The structure–activity relationships of mansonone F, a potent anti-MRSA sesquiterpenoid quinone: SAR studies on the C6 and C9 analogs

  摘要：

  For the systematic SAR study on mansonone F, a series of C6 and C9 analogs of mansonone F have been synthesized and their anti-MRSA activities were evaluated. Most of the analogs exhibited good or excellent anti-MRSA activities. In particular, the 6-n-butylmansonone F showed fourfold higher antibacterial activities compared to that of vancomycin. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.09.024

文献信息

• The structure–activity relationships of mansonone F, a potent anti-MRSA sesquiterpenoid quinone: SAR studies on the C6 and C9 analogs
  作者：Young-Ger Suh、Sun Nam Kim、Dong-Yun Shin、Soon-Sil Hyun、Do-Sang Lee、Kyung-Hoon Min、Sae Mi Han、Funan Li、Eung-Chil Choi、Seong-Hak Choi

  DOI：10.1016/j.bmcl.2005.09.024

  日期：2006.1

  For the systematic SAR study on mansonone F, a series of C6 and C9 analogs of mansonone F have been synthesized and their anti-MRSA activities were evaluated. Most of the analogs exhibited good or excellent anti-MRSA activities. In particular, the 6-n-butylmansonone F showed fourfold higher antibacterial activities compared to that of vancomycin. (c) 2005 Published by Elsevier Ltd.