Biomimetic in vitro oxidation of lapachol: A model to predict and analyse the in vivo phase I metabolism of bioactive compounds

► Lapachol (1) is a potent bioactive compound with several therapeutic applications. ► Oxidation by Jacobsen catalyst model can mimic the reactions of cytochrome P450. ► Mn(salen) catalysed oxidation of lapachol led to the formation of eleven products. ► α-Lapachone and dehydro-α-lapachone detected in vivo in rats treated with lapachol.