SMILES:
CC(=O)OCC1=CC=C(C=C1)OC
Aroma Description:
sweet, powdery, balsamic, vanilla, fruity, plum, cherry, tonka, creamy, spicy, coumarinic, licorice1
SMILES:
CC(=O)OCC1=CC=C(C=C1)OC
Aroma Description:
sweet, powdery, balsamic, vanilla, fruity, plum, cherry, tonka, creamy, spicy, coumarinic, licorice
Receptor | Dock Score | Affinity | A100 | Correlated Perceptual Qualities |
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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.) Pierre Chatelain, Alex Veithen, Francoise Wilkin, and Magali Philippeau Deorphanization and Characterization of Human Olfactory Receptors in Heterologous Cells Chem Biodivers. 2014 Nov;11(11):1764-81. doi: 10.1002/cbdv.201400083. PMID: 25408322.
3.) Veithen, A.; Wilin, F.; Philippeau, M.; Chatelain, P. OR1D2 is a broadly tuned human olfactory receptor. Chem. Senses 2015, 40, 262–263.