SMILES:
CCC1C(=O)C(=C(O1)C)O
Aroma Description:
sweet, cotton_candy, burnt_sugar, sugar, caramellic, bready1
caramellic2
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR5M3 | -4 3 | 1.5 3 | cotton_candy, caramellic |
SMILES:
CCC1C(=O)C(=C(O1)C)O
Aroma Description:
sweet, cotton_candy, burnt_sugar, sugar, caramellic, breadycaramellic
| 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.) HAAG, Franziska, HOFFMANN, Sandra, et KRAUTWURST, Dietmar. Key Food Furanones Furaneol and Sotolone Specifically Activate Distinct Odorant Receptors. Journal of Agricultural and Food Chemistry, 2021, vol. 69, no 37, p. 10999-11005.
3.) HAAG, Franziska, HOFFMANN, Sandra, et KRAUTWURST, Dietmar. Key Food Furanones Furaneol and Sotolone Specifically Activate Distinct Odorant Receptors. Journal of Agricultural and Food Chemistry, 2021, vol. 69, no 37, p. 10999-11005.