Cytotoxic anthrone-cyclopentenone heterodimers from the fungus Penicillium sp.guided by molecular networking
摘要(±)-Penicithrones A-D(1a/1b-4a/4b),four novel pairs of anthrone-cyclopentenone het-erodimers characterized by a distinctive bridged 6/6/6-5 tetracyclic core skeleton,together with three previously identified compounds(5-7),were isolated from the crude extract of the mangrove-derived fungus Penicillium sp.,guided by heteronuclear single quantum correla-tion(HSQC)-based small molecule accurate recognition technology(SMART 2.0)and liquid chromatography-tandem mass spectrometry(LC-MS/MS)-based molecular networking.The structural elucidation of new compounds was accomplished through comprehensive spectro-scopic analysis,and their absolute configurations were determined using DP4+13C nuclear magnetic resonance(NMR)calculations and electronic circular dichroism(ECD)calculations.Compounds 1a/1b-4a/4b demonstrated moderate cytotoxicity against three human cancer cell lines HeLa,HCT116 and MCF-7 with half maximal inhibitory concentration(IC50)values ranging from 15.95±1.64 to 28.56±2.59 μmol·L-1.
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