32 种二萜类化合物，包括 18 种对映贝壳杉烷（1-6 和 12-23）、九种 8,9-seco-对映贝壳杉烷（7-8 和 24-30）、四种对映枞树烷（9-10、和 31-32)，从巴豆 (Croton kongensis) 的树枝和叶子中分离出一种巴豆叶烷 (11)。通过光谱数据分析、TDDFT-ECD 和 GIAO NMR 计算以及 X 射线晶体学研究确定了先前未报道的 crokokaugenoids A-H (1-8)、crokoabiegenoids A-B (9-10) 和 crokocrotogenoid A (11) 的结构。评估了所有化合物对五种人类肿瘤细胞系的细胞毒活性，并讨论了构效关系。生物学测试表明，化合物1具有很强的抗增殖活性，将细胞周期阻滞在G2/M期，并诱导MDA-MB-231细胞凋亡。机制研究表明，化合物1通过靶向线粒体增加细胞内活性氧（ROS）并调节STAT3和FAK信号通路来抑制肿瘤增殖和迁移。总的来说，这些发现支持了化合物 1 作为一种有希望的抗癌药物的巨大潜力。版权所有 © 2024 Elsevier Inc. 保留所有权利。

Thirty-two diterpenoids including 18 ent-kauranes (1-6, and 12-23), nine 8,9-seco-ent-kauranes (7-8, and 24-30), four ent-abietanes (9-10, and 31-32), and one crotofolane (11) were isolated from the twigs and leaves of Croton kongensis. The structures of previously unreported crokokaugenoids A-H (1-8), crokoabiegenoids A-B (9-10), and crokocrotogenoid A (11) were determined by spectroscopic data analyses, TDDFT-ECD and GIAO NMR calculations, and X-ray crystallographic studies. All compounds were evaluated for their cytotoxic activity against five human tumor cell lines, and the structure-activity relationships were discussed. Biological tests exhibited that compound 1 possessed strong anti-proliferation activity, arrested cell cycle at G2/M phase, and induced cell apoptosis of MDA-MB-231. The mechanism investigation showed that compound 1 can inhibit tumor proliferation and migration by targeting mitochondria to increase intracellular reactive oxygen species (ROS) and regulating STAT3 and FAK signal pathways. Collectively, these findings supported the great potential of compound 1 as a hopeful anticancer agent.Copyright © 2024 Elsevier Inc. All rights reserved.