Evaluation of the structure-activity relationship of flavonoids as antioxidants and toxicants of zebrafish larvae

► We used zebrafish and QSAR to evaluate the antioxidant activity of flavonoids. ► Antioxidant activities of different flavonoids were analysed by QSAR. ► Some new compounds were predicted, one of them was synthesised. ► Experimental data of new compound corresponded well with the QSAR-predicted results.