☰
 

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 Agonist? Dock Score Pose1 LSRB - LSP 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.
LSP: Ligand Surface Polarity, i.e. how much of the ligand's surface is hydrophilic.
LSRB: Ligand Surface Receptor Binding, i.e. how much of the ligand's surface interacts with receptor atoms.

1.) https://en.wikipedia.org/wiki/1,1,6-Trimethyl-1,2-dihydronaphthalene

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