☰
 

SMILES:
CC1=CC2=C(C=C1)C(CC=C2)(C)C

Aroma Description:
petrol1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR8H1 -4.49 2 1.5 2  naphthyl, orangeflower, spearmint, neroli, carnation, peppery, fecal, clove, smoky
 

SMILES:
CC1=CC2=C(C=C1)C(CC=C2)(C)C

Aroma Description:
petrol

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.)

2.) Franziska Haag, Tim Frey, Lena Ball, Sandra Hoffmann, and Dietmar Krautwurst Petrol Note in Riesling − 1,1,6-Trimethyl-1,2-dihydronaphthalene (TDN) Selectively Activates Human Odorant Receptor OR8H1 Journal of Agricultural and Food Chemistry virtual special issue "13th Wartburg Symposium on Flavor Chemistry and Biology" (2024) https://doi.org/10.1021/acs.jafc.3c08230