SMILES:
CCC1=CC=C(C=C1)OC(=O)C
Aroma Description:
anisic, balsamic, black, chocolate, cocoa, dark, floral, honey, licorice, rose, sweet1
SMILES:
CCC1=CC=C(C=C1)OC(=O)C
Aroma Description:
anisic, balsamic, black, chocolate, cocoa, dark, floral, honey, licorice, rose, sweet
| 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.) Christiane Geithe, Franziska Noe, Johanna Kreissl, Dietmar Krautwurst, The Broadly Tuned Odorant Receptor OR1A1 is Highly Selective for 3-Methyl-2,4-nonanedione, a Key Food Odorant in Aged Wines, Tea, and Other Foods, Chemical Senses, Volume 42, Issue 3, 1 March 2017, Pages 181–193, https://doi.org/10.1093/chemse/bjw117