2-demethylplastoquinone-3 | 142182-61-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-demethylplastoquinone-3
• 英文别名: Senkyunone；2-Methyl-6-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)cyclohexa-2,5-diene-1,4-dione；2-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-2,5-diene-1,4-dione
• CAS: 142182-61-4
• 化学式: C₂₂H₃₀O₂
• 分子量: 326.479
• InChiKey: WJKQTIOYPFPGQW-VZRGJMDUSA-N

物化性质

• 沸点：
  440.7±45.0 °C(Predicted)
• 密度：
  0.976±0.06 g/cm3(Predicted)
• 保留指数：
  2536.8

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-demethylplastoquinone-3 以 吡啶 为溶剂， 反应 4.0h， 生成 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,8-dimethylchromen-6-ol
  参考文献：
  名称：

  Powerful antioxidative agents based on garcinoic acid from Garcinia kola

  摘要：

  Investigation on the structure-antioxidative activity relationships of derivatives based on garcinoic acid from Garcinia kola (Guttiferae) led to discovery of a powerful antioxidative agent. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00428-x
• 作为产物：
  描述：

  反,反-法呢基溴 在 盐酸 、 manganese(IV) oxide 、 正丁基锂 作用下， 以 四氢呋喃 、 甲醇 、 氯仿 、 苯 为溶剂， 反应 3.5h， 生成 2-demethylplastoquinone-3
  参考文献：
  名称：

  Powerful antioxidative agents based on garcinoic acid from Garcinia kola

  摘要：

  Investigation on the structure-antioxidative activity relationships of derivatives based on garcinoic acid from Garcinia kola (Guttiferae) led to discovery of a powerful antioxidative agent. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00428-x

文献信息

• A phthalide and 2-farnesyl-6-methyl benzoquinone from Ligusticum chuangxiong
  作者：Takashi Naito、Kazuaki Niitsu、Yukinobu Ikeya、Minoru Okada、Hiroshi Mitsuhashi

  DOI：10.1016/0031-9422(92)83148-r

  日期：1992.5

  A new phthalide, senkyunolide Q, and 2-farnesyl-6-methyl benzoquinone, senkyunone, along with senkyunolide M, 2-methoxy-4-(3-methoxy-1-propenyl)-phenol and 2-(1-oxo-pentyl)-benzoic acid methyl ester were isolated from the rhizome of Ligusticum chuangxiong. On the basis of spectral analyses and chemical methods, the structures of senkyunolide Q and senkyunone were proved to be (6RS,7SR)-3-butylidene-4,5,6,7-tetrahydro-7-hydroxy-6-(1-oxobutyl)-phthalide and (2'E,6'E)-2-farnesyl-6-methyl-p-benzoquinone, respectively.
• Powerful antioxidative agents based on garcinoic acid from Garcinia kola
  作者：Kenji Terashima、Yoshiaki Takaya、Masatake Niwa

  DOI：10.1016/s0968-0896(01)00428-x

  日期：2002.5

  Investigation on the structure-antioxidative activity relationships of derivatives based on garcinoic acid from Garcinia kola (Guttiferae) led to discovery of a powerful antioxidative agent. (C) 2002 Elsevier Science Ltd. All rights reserved.