四种新的二萜托酚酮，salvirrddones A-D (1-4)，和四种新的icetexanes，salvirrddices A-D (9-12)，以及十三种新的 11,12-seco-norabietane 二萜，salvirrddnor A-M (14-24, 31, 32)从鼠尾草的根和根茎中分离得到 16 个已知化合物（5-8、13、25-30、33-37）。绒毛Stib。通过综合光谱分析、量子化学计算和 X 射线晶体学阐明了它们的结构。在结构上，化合物1-8代表一类稀有天然产物，具有独特的环庚-2,4,6-三烯酮部分和二萜骨架。生物测定表明，只有二萜托酚酮 3、5、6 和 7 对多种人类癌细胞系表现出显着的活性，IC50 值范围为 3.01 至 11.63 μM。此外，3 还可抑制 Hep3B 细胞增殖，阻断细胞周期的 G0/G1 期，诱导线粒体功能障碍和氧化应激，促进细胞凋亡，并在体外抑制迁移和侵袭。同时，3在体内Hep3B异种移植斑马鱼模型中表现出抗增殖、促凋亡和迁移抑制作用。网络药理学分析和分子对接结果表明，3可能通过PI3K-Akt信号通路以及结合PARP1和CDK2靶点来治疗肝细胞癌（HCC）。总体而言，目前的结果极大地扩展了天然产物中二萜类化合物的种类，并可能为新抗肿瘤药物的发现提供一种新颖的化学支架。版权所有 © 2024 Elsevier Inc. 保留所有权利。

Four new diterpenoid tropolones, salvirrddones A-D (1-4), and four new icetexanes, salvirrddices A-D (9-12), along with thirteen new 11,12-seco-norabietane diterpenoids, salvirrddnor A-M (14-24, 31, 32) and sixteen known compounds (5-8, 13, 25-30, 33-37), were isolated from the roots and rhizomes of Salvia castanea Diels f. tomentosa Stib. Their structures were elucidated by comprehensive spectroscopic analyses, quantum chemical calculations, and X-ray crystallography. Structurally, compounds 1-8 represent a class of rare natural products featuring a unique cyclohepta-2,4,6-trienone moiety with diterpenoid skeletons. Bioassays showed that only diterpenoid tropolones 3, 5, 6, and 7 exhibited significant activity against several human cancer cell lines with IC50 values ranging from 3.01 to 11.63 μM. Additionally, 3 was shown to inhibit Hep3B cell proliferation, block the G0/G1 phase of the cell cycle, induce mitochondrial dysfunction and oxidative stress, promote apoptosis, as well as inhibit migration and invasion in vitro. Meanwhile, 3 demonstrated anti-proliferative, pro-apoptotic, and migration-inhibitory effects in the Hep3B xenograft zebrafish model in vivo. Network pharmacological analysis and molecular docking results suggested that 3 may treat hepatocellular carcinoma (HCC) through the PI3K-Akt signaling pathway, as well as by binding PARP1 and CDK2 targets. Overall, the present results extremely expand the repertoire of diterpenoids from natural products and may provide a novel chemical scaffold for the discovery of new antitumor drugs.Copyright © 2024 Elsevier Inc. All rights reserved.