Opt.-inakt. 4-Hydroxy-6.7-dimethoxy-2.3-dimethyl-1-(3.4-dimethoxy-phenyl)-1.2.3.4-tetrahydro-naphthalin | 111162-84-6

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基四氢萘木脂素
• 英文名称: Opt.-inakt. 4-Hydroxy-6.7-dimethoxy-2.3-dimethyl-1-(3.4-dimethoxy-phenyl)-1.2.3.4-tetrahydro-naphthalin
• 英文别名: 4-(3,4-Dimethoxy-phenyl)-6,7-dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydro-[1]naphthol；4-Hydroxy-6.7-dimethoxy-2.3-dimethyl-1-(3.4-dimethoxy-phenyl)-tetralin；4-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
• CAS: 111162-84-6
• 化学式: C₂₂H₂₈O₅
• 分子量: 372.461
• InChiKey: WBRPUFHEMGUPKR-UHFFFAOYSA-N

物化性质

• 沸点：
  493.6±45.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Opt.-inakt. 4-Hydroxy-6.7-dimethoxy-2.3-dimethyl-1-(3.4-dimethoxy-phenyl)-1.2.3.4-tetrahydro-naphthalin 在 selenium 作用下， 生成 1-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-2,3-dimethyl-naphthalene
  参考文献：
  名称：

  316.天然酚醛树脂的成分。第十二部分。硒对木脂素的作用

  摘要：

  DOI：

  10.1039/jr9380001681
• 作为产物：
  描述：

  1,4-bis-(3,4-dimethoxy-phenyl)-2,3-dimethyl-butane-1,4-diol 在 盐酸 作用下， 生成 Opt.-inakt. 4-Hydroxy-6.7-dimethoxy-2.3-dimethyl-1-(3.4-dimethoxy-phenyl)-1.2.3.4-tetrahydro-naphthalin
  参考文献：
  名称：

  316.天然酚醛树脂的成分。第十二部分。硒对木脂素的作用

  摘要：

  DOI：

  10.1039/jr9380001681

文献信息

• Aryltetralols from Holostylis reniformis and syntheses of lignan analogous
  作者：Marcos D.P. Pereira、Matheus R. Ferreira、Gisele B. Messiano、Isabela Penna Cerávolo、Lucia M.X. Lopes、Antoniana U. Krettli

  DOI：10.1016/j.phytol.2015.06.001

  日期：2015.9

  Two new lignans, an aryltetralol and its methyl ether analogous, were isolated from Holostylis reniformis (Aristolochiaceae) together with futokadsurin C and (-)-8'-epi-aristoligone. The latter was also obtained as an enantiomeric mixture by synthesis and was transformed into aryltetralols and aryltetralenes that were subjected to chiral-HPLC separations. The compound structures were determined by spectroscopic methods. Several of these lignans had their antiplasmodial activity (against Plasmodium falciparum, W2 clone, anti-HRPII) and toxicity to mammalian kidney cells (MDL50) evaluated. (-)-Cyclogalgravin and (-)-aristoligol exhibited activity (IC50 similar to 10.8 and 8.4 mu M, respectively), the latter exhibited lower toxicity. (C) 2015 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.
• 316. The constituents of natural phenolic resins. Part XII. The action of selenium on lignans
  作者：John R. Atkinson、Robert D. Haworth

  DOI：10.1039/jr9380001681

  日期：——