SMILES:
CCC1=CC=C(C=C1)CC(C)(C)C=O
Aroma Description:
clean, fresh, green, marine, ozone1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR1D2 | -5.7 2 | - | rose, peach, bois_de_rose, citrus, floral, fresh, lactonic, waxy, lime, blueberry | |
| OR2T34 | -5.7 3 | 6.5 3 | fennel, marine, ozone, apple, candy, plum, anise, chocolate, green, warm | |
| OR5B17 | -3.9 3 | 9 3 | ozone, marine, carnation, malty, clean, clove | |
| OR1G1 | -3.7 3 | 3 3 | waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise |
SMILES:
CCC1=CC=C(C=C1)CC(C)(C)C=O
Aroma Description:
clean, fresh, green, marine, ozone
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.) B.L. Cook, D. Steuerwald, L. Kaiser, J. Graveland-Bikker, M. Vanberghem, A.P. Berke, K. Herlihy, H. Pick, H. Vogel, S. Zhang, Large-scale production and study of a synthetic G protein-coupled receptor: Human olfactory receptor 17-4, Proc. Natl. Acad. Sci. USA 106 (2009) 11925-11930
3.) D. Gonzalez-Kristeller, J.B.P. do Nascimento, P.A.F. Galante, B. Malnic, Identification of agonists for a group of human odorant receptors, Front. Pharmacol. 6 (2015)