SMILES:
OCCCSC
Aroma Description:
sulfurous, onion, sweet, soup, vegetable1
SMILES:
OCCCSC
Aroma Description:
sulfurous, onion, sweet, soup, vegetable
| 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.) Franziska Noe, Johannes Polster, Christiane Geithe, Matthias Kotthoff, Peter Schieberle, and Dietmar Krautwurst OR2M3: A Highly Specific and Narrowly Tuned Human Odorant Receptor for the Sensitive Detection of Onion Key Food Odorant 3-Mercapto-2-methylpentan-1-ol Chemical Senses, 2017, Vol 42, 195–210 doi:10.1093/chemse/bjw118
3.) Lena Ball, Tim Frey, Franziska Haag, Stephanie Frank, Sandra Hoffmann, Matthias Laska, Martin Steinhaus, Klaus Neuhaus, and Dietmar Krautwurst Geosmin, a Food- and Water-Deteriorating Sesquiterpenoid and Ambivalent Semiochemical, Activates Evolutionary Conserved Receptor OR11A1 Journal of Agricultural and Food Chemistry Article ASAP