☰
 

SMILES:
CCCC/C=C\CCC=O

Aroma Description:

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR10A6 -5.32 1 6.1111 1  floral, honey, rhubarb, neroli, cyclamen, cinnamyl, hyacinth, rose, dirty, balsamic
 

SMILES:
CCCC/C=C\CCC=O

Aroma Description:

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.) Frey, T., Kwadha, C. A., Wallin, E. A., Holgersson, E., Hedenström, E., Bohman, B., ... & Witzgall, P. (2020). The human odorant receptor OR10A6 is tuned to the pheromone of the commensal fruit fly Drosophila melanogaster. bioRxiv.