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Two highly oxygenated nor-clerodane diterpenoids from Croton caudatus.

Ming-Feng ZouRong HuYing-Xin LiuRun-Zhu FanXing-Lin XieSheng Yin
Published in: Journal of Asian natural products research (2020)
Two highly oxygenated nor-clerodane diterpenoids, crocleropenes A and B (1 and 2), together with four known compounds (3-6) were isolated from the leaves and twigs of Croton caudatus. Their structures were elucidated by combination of extensive spectroscopic analysis and electronic circular dichroism (ECD) calculations. 1 and 2 represent the first examples of nor-clerodane-3,5(10)-diene diterpenoids. Compounds 1 and 2 exhibited weak cytotoxicity in vitro against MCF-7 cancer cells with IC50 values of 35.8 and 40.2 μM, respectively. [Formula: see text].
Keyphrases
  • molecular docking
  • density functional theory
  • molecular dynamics
  • molecular dynamics simulations
  • high resolution
  • breast cancer cells
  • smoking cessation
  • human milk