Plants are a reservoir of high-value molecules with underexplored biomedical applications. Here, we scrutinized the diversity of (poly)phenols present within the berries of selected germplasm from cultivated, wild and underutilized Rubus species for identifying novel health-promoting attributes. Our strategy combined the application of metabolomics, statistical analysis and evaluation of (poly)phenols bioactivity using a yeast-based discovery platform. We identified species as sources of (poly)phenols interfering with pathological processes associated with redox-related diseases, particularly, amyotrophic lateral sclerosis, cancer and inflammation. In silico prediction of putative bioactives suggested the cyanidin-hexoside as an anti-inflammatory molecule, which was validated in yeast and mammalian cells. Moreover, cellular assays revealed that the cyanidin moiety was responsible for the anti-inflammatory properties of cyanidin-hexoside. Our findings unveiled novel health-promoting attributes of (poly)phenols and illustrate the power of our integrative approach for the identification of dietary (poly)phenols with biomedical applications.