SMILES:
CCC1=NC=CN=C1
Aroma Description:
peanut, butter, musty, nutty, woody, roasted, cocoa, fermented, meaty1
SMILES:
CCC1=NC=CN=C1
Aroma Description:
peanut, butter, musty, nutty, woody, roasted, cocoa, fermented, meaty
| 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.) Chatelain P., Wilkin F., Veithen A., Philippeau M., Noiset O., Quesnel Y. Sensorial Chemistry: Functional characterization and structure-activity relationship understanding of OR5K1 and OR2AG1 allow to design and synthetize new selective compounds. Chem. Senses. 2017;42:e28.