SMILES:
Oc1ccc(cc1OC)C=C
Aroma Description:
spicy, clove, carnation, phenolic, peppery, smoky, woody, powdery1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR5P3 | -4.46 2 | 10 2 | mimosa, hawthorn, coumarinic, hay, spearmint, caraway, orangeflower, naphthyl, acacia, blueberry | |
| OR2W1 | -4.4 2 | 3.3333 2 | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
| OR10G4 | -4.52 2 | 2.2667 2 | vanilla | |
| OR10G7 | -4.7 2 | 1.3333 2 | clove, carnation, smoky | |
| OR1A1 | -4.3 2 | 2 2 | herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus | |
| OR5K1 | -4.3 2 | 0.6667 2 | hazelnut, nutty, peanut, roasted, cocoa | |
| OR8H1 | -4.3 2 | 0.4 2 | naphthyl, orangeflower, spearmint, neroli, carnation, peppery, fecal, clove, smoky |
SMILES:
Oc1ccc(cc1OC)C=C
Aroma Description:
spicy, clove, carnation, phenolic, peppery, smoky, woody, powdery
| 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.