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A Customizable Approach for the Enzymatic Production and Purification of Diterpenoid Natural Products
Published on: October 4, 2019
A theoretical biogenesis overview of diterpenes isolated from Salvia microphylla
J Alejandro Posada-Salgado1, Elihú Bautista1, Gabriel Cuevas1
1Instituto de Química, Universidad Nacional Autónoma de México, Mexico City, Mexico, 04510.
Abstract:
Establishing the reaction mechanisms involved in the biosynthesis of natural products plays an important role in phytochemistry and pharmacology. Mechanistic studies of the biogenesis of natural products have been mainly explored by means of theoretical calculations, and taking into account experimental structures of reagents and products. Using a hybrid meta density functional theory method (mPW1B95), we studied the mechanisms associated with the biogenesis of five neo-clerodanes isolated from Salvia mycrophylla. The reaction mechanisms presented here explain the formation of the five neo-clerodanes and coincides with the formulated biogenetic hypothesis. Graphical Abstract Proposed biogenesis of diterpenes isolated from Salvia microphylla.
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Conjugated dienes are compounds characterized by the presence of alternating double and single bonds. In a conjugated system like 1,3-butadiene, the unhybridized 2p orbital on each carbon overlaps continuously, allowing the π electrons to be delocalized across the entire molecule. In contrast, this type of overlap does not occur in cumulated and isolated dienes, such as 2,3-pentadiene and 1,4-pentadiene, respectively. Instead, the π electrons remain localized between the double...

