SMILES:
CCOC(=O)[C@@]12CCC[C@@H]1[C@H]3CC[C@@H]2C3
Aroma Description:
sweet, fruity, rummy, candy, floral, ripe1
SMILES:
CCOC(=O)[C@@]12CCC[C@@H]1[C@H]3CC[C@@H]2C3
Aroma Description:
sweet, fruity, rummy, candy, floral, ripe
| 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.