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 | Dock Score | Affinity | A100 | 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.
A100: A measure of the degree of activation of the receptor. See
Ibrahim et al (2019).