lithothamnin A | 1297291-67-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: lithothamnin A
• 英文别名: (12E,26E)-5,16,21,34,36-pentabromo-4,17,23,32-tetrahydroxy-12,26-bis(hydroxyimino)-2,19-dioxa-10,28-diazapentacyclo[29.2.2.13,7.114,18.120,24]octatriaconta-1(34),3,5,7(38),14(37),15,17,20,22,24(36),31(35),32-dodecaene-11,27-dione
• CAS: 1297291-67-8
• 化学式: C₃₄H₂₇Br₅N₄O₁₀
• 分子量: 1051.13
• InChiKey: ZFSTWMBDMZIGJR-GXABEWBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  53
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  223
• 氢给体数：
  8
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  lithothamnin A 、 碘甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 43.0h， 生成 hexa-O-methyllithothamnin A
  参考文献：
  名称：

  Lithothamnin A, the First Bastadin-like Metabolite from the Red Alga Lithothamnion fragilissimum

  摘要：

  Lithothamnin A (1) is a new bastadin-like metabolite and represents the first report of this class of molecules from the red alga Lithothamnion fragilissimum. Lithothamnin A contains several novel structural features that distinguish it from other bastadins. These unique structural features include novel aromatic substitution patterns and the presence of a meta-meta linkage between aromatic rings, in addition to the meta-para linkage seen in the bastadins. Lithothamnin A is modestly cytotoxic in a panel of six human tumor cell lines.

  DOI：

  10.1021/np1006795

文献信息

• Lithothamnin A, the First Bastadin-like Metabolite from the Red Alga <i>Lithothamnion fragilissimum</i>
  作者：Albert W. W. Van Wyk、Karina M. Zuck、Tawnya C. McKee

  DOI：10.1021/np1006795

  日期：2011.5.27

  Lithothamnin A (1) is a new bastadin-like metabolite and represents the first report of this class of molecules from the red alga Lithothamnion fragilissimum. Lithothamnin A contains several novel structural features that distinguish it from other bastadins. These unique structural features include novel aromatic substitution patterns and the presence of a meta-meta linkage between aromatic rings, in addition to the meta-para linkage seen in the bastadins. Lithothamnin A is modestly cytotoxic in a panel of six human tumor cell lines.