SMILES:
CCCCCCCCCS
Aroma Description:
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR2C1 | -3.89 1, -5.3 2 | 9.8 1 | sulfurous, skunk, roasted, meaty | |
| OR2W1 | -4.06 1 | 8.7 1 | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
| OR1A1 | -3.24 1 | 9.3 1 | herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus | |
| OR10J5 | - | 0 1 | ||
| OR2J2 | - | 0 1 | ||
| OR51E1 | - | 0 1 | ||
| OR51L1 | - | 0 1 | ||
| OR5P3 | - | 0 1 |
SMILES:
CCCCCCCCCS
Aroma Description:
| Receptor | Dock Score | Affinity | A100 | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR51E1 | 0 | -0.1951 | 0 |
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.) Saito H, Chi Q, Zhuang H, Matsunami H, Mainland JD. Odor coding by a Mammalian receptor repertoire. Sci Signal. 2009 Mar 3;2(60):ra9. doi: 10.1126/scisignal.2000016. PMID: 19261596; PMCID: PMC2774247.
2.) Dunkel, A.; Steinhaus, M.; Kotthoff, M.; Nowak, B.; Krautwurst, D.; Schieberle, P.; Hofmann, T. Nature’s chemical signatures in human olfaction: A foodborne perspective for future biotechnology. Angew. Chem. Int. Ed. Engl. 2014, 53, 7124–7143.