UPLC-QTof-MS chemical profiling and characterization of antiproliferative and anti-inflammatory compounds from seven Hypericum species in China

•Chemical profiles were established using UPLC-QTof-MS metabolomics.•Over 100 marker compounds contributing to the chemotaxonomy were characterized.•All extracts inhibited NO production in LPS-induced RAW264.7 cells at 100 μg/mL.•H. japonicum showed cytotoxicity to SMMC-7721 cells (IC50 = 59.8 μg/mL).•Potential antiproliferative markers were identified using a chemometrics approach.