bruceolline C

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吲哚萘啶生物碱
• 英文名称: bruceolline C
• 英文别名: 12-Hydroxy-8,11-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one；12-hydroxy-8,11-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
• 化学式: C₁₆H₁₂N₂O₄
• 分子量: 296.282
• InChiKey: DGEILRLBRKVUDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  73.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 bruceolline C 在 吡啶 作用下， 反应 2.0h， 以1 mg的产率得到Acetic acid 1,11-dimethoxy-6-oxo-6H-indolo[3,2,1-de][1,5]naphthyridin-10-yl ester
  参考文献：
  名称：

  Alkaloids and quassinoids of Brucea mollis var. tonkinensis

  摘要：

  Two new canthin-6-one alkaloids, bruceollines C and G, were isolated from the root bark and root wood of Brucea mollis var. tonkinensis, together with three known canthin-6-one alkaloids, 11-hydroxycanthin-6-one, 1-hydroxy-11-methoxycanthin-6-one and 11-hydroxy-1-methoxycanthin-6-one, and four known beta-carboline alkaloids, 1-hydroxymethyl-beta-carboline, 1-ethyl-beta-carboline, 1-(2'-hydroxyethyl)-beta-carboline and beta-carboline-1-propionic acid, and six known quassinoids, brucein B, brucein D, brusatol, bruceoside B, yadanziolide A and soulameanone. Their structures were elucidated based on the spectral and chemical evidence.

  DOI：

  10.1016/0031-9422(95)00039-a

文献信息

• Alkaloids and quassinoids of Brucea mollis var. tonkinensis
  作者：Yishan Ouyang、Katsuyoshi Mitsunaga、Kazuo Koike、Taichi Ohmoto

  DOI：10.1016/0031-9422(95)00039-a

  日期：1995.7

  Two new canthin-6-one alkaloids, bruceollines C and G, were isolated from the root bark and root wood of Brucea mollis var. tonkinensis, together with three known canthin-6-one alkaloids, 11-hydroxycanthin-6-one, 1-hydroxy-11-methoxycanthin-6-one and 11-hydroxy-1-methoxycanthin-6-one, and four known beta-carboline alkaloids, 1-hydroxymethyl-beta-carboline, 1-ethyl-beta-carboline, 1-(2'-hydroxyethyl)-beta-carboline and beta-carboline-1-propionic acid, and six known quassinoids, brucein B, brucein D, brusatol, bruceoside B, yadanziolide A and soulameanone. Their structures were elucidated based on the spectral and chemical evidence.