SMILES:
OCC[C@](S)(C)CCC
Aroma Description:
passionfruit, currant, blackcurrant, green, fruity1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR2W1 | -5.7 2 | 1.4 2 | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
| OR2J3 | -4.82 2 | 1.5 2 | passionfruit, foliage, blackcurrant, currant, grassy, juicy, tart, warm, soapy, cinnamon | |
| OR1A1 | -4.96 2 | 1 2 | herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus |
SMILES:
OCC[C@](S)(C)CCC
Aroma Description:
passionfruit, currant, blackcurrant, green, fruity
| 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).