In this project state-of-the-art imaging mass spectrometry tools were used to identify diterpenoid rich tissues which were targeted for transcriptomics. Through the integration of bioinformatic, molecular biology and analytical chemistry techniques, diterpene synthases and cytochrome P450 enzyme candidates potentially involved in V. agnus-castus diterpenoid biosynthesis were identified and functionally characterised. This work resulted in a molecular toolbox of diterpenoid genes that were expressed in yeast for the production of V. agnus-castus diterpenoids. The engineered host strains hold potential for the future development of an industrial scale production platform able to produce high-purity, bioactive diterpenoids.