Logan

A Computational Analysis of Electron Density in Humulone, Adhumulone, and Cohumulone

Structures of Humulone, Cohumulone, and Adhumulone

The structures of these three alpha acids are incredibly similar. The only difference is an alkyl substituent change is the top right of the molecule. We are setting out to determine if this substituent change will lead to a change in the electrostatic potential of the molecules.

Electron Density of Humulone, Cohumulone, and Adhumulone