SMILES:
CC1=CC=C(C=C1)OC(=O)C
Aroma Description:
narcissus, phenolic, animal1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR9Q2 | -4.82 2 | - | narcissus, animal | |
| OR1A1 | -3.4 3 | 9 3 | herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus | |
| OR2W1 | - | 2.2 3 | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
| OR5P3 | - | 0.8 3 | mimosa, hawthorn, coumarinic, hay, spearmint, caraway, orangeflower, naphthyl, acacia, blueberry |
SMILES:
CC1=CC=C(C=C1)OC(=O)C
Aroma Description:
narcissus, phenolic, animal
| 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.) Keiichi Yoshikawa, Naoko Saito (2016) Method for selecting odor-controlling substance EP3305898B1
3.) 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