SMILES:
CC1=CC=C(C=C1)O
Aroma Description:
phenolic, narcissus, animal, mimosa1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR9Q2 | -5 2, -4.82 3, -3.9 4 | 2.9293 2, 29 4 | narcissus, animal | |
| OR5P3 | -4.4 2, -3.2 4 | 0.8 2, 3 4 | mimosa, hawthorn, coumarinic, hay, spearmint, caraway, orangeflower, naphthyl, acacia, blueberry | |
| OR2W1 | -4.52 2, -3.5 4 | 1.8667 2, 1.2 4 | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
| OR4S2 | -4.4 2, -3.2 4 | 0.6667 2, 1.8 4 | narcissus, mimosa, foliage | |
| OR1A1 | - | 0.1 4 | herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus |
SMILES:
CC1=CC=C(C=C1)O
Aroma Description:
phenolic, narcissus, animal, mimosa
| 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.
1.) The Good Scents Company
2.) Aya Namba, Naoko Saito, Keiichi Yoshikawa, Ichiro Mori (2015) Search method of urine odor suppressor JP2015211667A
3.) Keiichi Yoshikawa, Naoko Saito (2016) Method for selecting odor-controlling substance EP3305898B1
4.) Shirai, T., Takase, D., Yokoyama, J. et al. Functions of human olfactory mucus and age-dependent changes. Sci Rep 13, 971 (2023). https://doi.org/10.1038/s41598-023-27937-1