SMILES:
OCC[C@@](S)(C)CCC
Aroma Description:
passionfruit, currant, blackcurrant, green, fruity1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR1A1 | -4.96 2 | 8 2 | herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus | |
| OR2W1 | -5.7 2 | 1.2 2 | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
| OR2J3 | -5.22 2 | 0.4 2 | passionfruit, foliage, blackcurrant, currant, grassy, juicy, tart, warm, soapy, cinnamon |
SMILES:
OCC[C@@](S)(C)CCC
Aroma Description:
passionfruit, currant, blackcurrant, green, fruity
| 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.