SMILES:
CC1=CCOC1=O
Aroma Description:
metallic, solvent1
SMILES:
CC1=CCOC1=O
Aroma Description:
metallic, solvent
| 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.) 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.
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.