SMILES:
C12=C(C=CN2)C=CC=C1
Aroma Description:
animal, fecal, floral, naphthyl1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR5P3 | -4.4 3 | 9.3496 3 | mimosa, hawthorn, coumarinic, hay, spearmint, caraway, orangeflower, naphthyl, acacia, blueberry | |
| OR2W1 | -4.7 3 | 0.3252 3 | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
| OR5K1 | -4.7 3 | 0.122 3 | hazelnut, nutty, peanut, roasted, cocoa | |
| OR2L3 | -3.4 4 | 1.9 4 | resinous, acacia, lime, pine, lemon, hawthorn, peppery, cooling | |
| OR8H1 | -4.22 3 | 0.1626 3 | naphthyl, orangeflower, spearmint, neroli, carnation, peppery, fecal, clove, smoky | |
| OR1G1 | - | 1.7766 2 | waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise | |
| OR52D1 | - | 0.4569 2 | anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp |
SMILES:
C12=C(C=CN2)C=CC=C1
Aroma Description:
animal, fecal, floral, naphthyl
| 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).
1.) The Good Scents Company
2.) Guenhael Sanz, Claire Schlegel, Jean-Claude Pernollet and Loic Briand Comparison of Odorant Specificity of Two Human Olfactory Receptors from Different Phylogenetic Classes and Evidence for Antagonism Chemical Senses vol. 30 no. 1 (2005) doi:10.1093/chemse/bji002
3.) Aya Kato, Naoko Saito (2015) Odor control agent. JP5798382B2
4.) Masato Murai, Ikuo Terada (2022) Method for screening of unpleasant odor masking agents US20220034866A1