PhytoMolecularTaste database (PhytoMolecularTasteDB) described in the present work is related to the article "Main phytocompunds׳ tastes: a better predictor for the ethnopharmacological activities of medicinal plant than the phytochemical class?" (Dragos and Gilca, 2018) [1]. It includes a comprehensive list of plant derived tastants, as well as details on the "phyto-molecular taste" (PMT) (the combination of tastes resulted from the main tastants found in a medicinal plant). To collect the data, we searched publications in various databases and journals by using relevant keywords. Wherever necessary, manual search of lacking information was also performed in several books. We then extracted the reported phytoconstituents and PMT of all the ayurvedic medicinal plants included in DB. Data were compiled in Excel. In total, PhytoMolecularTasteDB includes 431 ayurvedic medicinal plants, 94 EPAs, 223 phytochemical classes, and 438 plant-derived tastants.