onion pentanol

SMILES:
CCC(C(C)CO)S

Aroma Description:
onion1
brothy, sweaty, leek2

Notes:
The 2R,3S enantiomer is the most potent with an odor threshold as low as 0.07 picograms/liter in air, followed by 2S,3R with a threshold of 3 pg/L. The two syn- enantiomers were not detected by smell.3

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR2M3 -3.4 4, -7.54 5 10 4, 10 5  brothy, sweaty, onion
 

onion pentanol

SMILES:
CCC(C(C)CO)S

Aroma Description:
onionbrothy, sweaty, leek

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.