ethyl methylphenylglycidate, ethyl 3-methyl-3-phenyloxirane-2-carboxylate
SMILES:
CC(C2C(OCC)=O)(O2)C1=CC=CC=C1
Aroma Description:
sweet, fruity, strawberry, floral, honey, fatty1
Notes:
The (+) isomer has a very recognizably strawberry aroma, while the (-) isomer smells faint and non-specifically fruity.2
ethyl methylphenylglycidate, ethyl 3-methyl-3-phenyloxirane-2-carboxylate
SMILES:
CC(C2C(OCC)=O)(O2)C1=CC=CC=C1
Aroma Description:
sweet, fruity, strawberry, floral, honey, fatty
| Receptor | Agonist? | Dock Score | Pose1 | LSRB - LSP | Correlated Perceptual Qualities |
|---|
Dock Score: This is a measure of whether the algorithm thinks the odorant is an agonist of the receptor.
Affinity: The binding affinity, in kJ/mol, of the ligand docked in the active or inactive model, whichever is greater.
LSP: Ligand Surface Polarity, i.e. how much of the ligand's surface is hydrophilic.
LSRB: Ligand Surface Receptor Binding, i.e. how much of the ligand's surface interacts with receptor atoms.