Identification of key aroma compounds contributing to the pleasurable sensory experience of white Peony tea using GC–MS, computational modeling, and sensory evaluation

White Peony Tea (WPT) is valued for its unique flavor and pleasant sensory effects. However, the specific aroma compounds in WPT contributing to this pleasant sensation and the underlying mechanisms remain unclear. This study integrates GC–MS, computational modeling, and sensory evaluation to systematically explore the key pleasant aroma compounds in WPT and their potential mechanisms. Seven key components were identified as eliciting the pleasant sensation of WPT, including cedrol and β -ionone. These compounds activate human pleasure receptors, influencing neurological pathways to enhance sensory pleasure. Molecular simulations validated the stability of the interactions between the aroma compounds and their targets, specifically cedrol–CHRM4, cedrol–ADORA1, β -ionone–ADORA2A, and cedrol–MAOB. Sensory evaluation revealed pleasantness scores for these aroma compounds between 2.60 and 6.80, supporting the positive effects on sensory experience. This research provides scientific insight into the relationship between tea aroma and sensory pleasure, providing a foundation for the development of tea products.