SMILES:
CCCCCCOC(=O)CCCCCCC
Aroma Description:
fruity, green, waxy, berry, apple, estery1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR3A1 | -1.06 2 | 0.0666 2 | cork_taint |
SMILES:
CCCCCCOC(=O)CCCCCCC
Aroma Description:
fruity, green, waxy, berry, apple, estery
| 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).