scopularide A | 1025008-24-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: scopularide A
• 英文别名: (3S,6S,9R,12S,19S)-3-benzyl-6-methyl-9-(2-methylpropyl)-19-octan-2-yl-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
• CAS: 1025008-24-5
• 化学式: C₃₆H₅₇N₅O₇
• 分子量: 671.878
• InChiKey: HQEBGENSMXBRMP-YZURKTGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  48
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  172
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  scopularide A 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Scopularides A and B, Cyclodepsipeptides from a Marine Sponge-Derived Fungus, Scopulariopsis brevicaulis

  摘要：

  Two novel cyclodepsipeptides, scopularides A and B, were found in the fungus Scopulariopsis brevicaulis, which was isolated from the marine sponge Tethya aurantium. In addition, the known fungal metabolite paxilline was identified. The structures of the scopularides were elucidated by NMR, MS, and chemical derivatization methods as cyclo-(3hydroxy-4-methyldecanoyl-Gly-L-Val-D-Leu-L-Ala-L-Phe) and cyclo-(3-hydroxy-4-methyloctanoyl-Gly-L-Val-DLeu-L-Ala-L-Phe) for scopularide A and B, respectively. Antibiotic activity against Gram-negative bacteria was absent and against Gram-positive bacteria was weak, but activity against several tumor cell lines was significant at 10 mu g/mL.

  DOI：

  10.1021/np070580e

文献信息

• Scopularides A and B, Cyclodepsipeptides from a Marine Sponge-Derived Fungus, <i>Scopulariopsis brevicaulis</i>
  作者：Zhiguo Yu、Gerhard Lang、Inga Kajahn、Rolf Schmaljohann、Johannes F. Imhoff

  DOI：10.1021/np070580e

  日期：2008.6.1

  Two novel cyclodepsipeptides, scopularides A and B, were found in the fungus Scopulariopsis brevicaulis, which was isolated from the marine sponge Tethya aurantium. In addition, the known fungal metabolite paxilline was identified. The structures of the scopularides were elucidated by NMR, MS, and chemical derivatization methods as cyclo-(3hydroxy-4-methyldecanoyl-Gly-L-Val-D-Leu-L-Ala-L-Phe) and cyclo-(3-hydroxy-4-methyloctanoyl-Gly-L-Val-DLeu-L-Ala-L-Phe) for scopularide A and B, respectively. Antibiotic activity against Gram-negative bacteria was absent and against Gram-positive bacteria was weak, but activity against several tumor cell lines was significant at 10 mu g/mL.