☰
 

SMILES:
CC1(CCC=C2C1CCC(C2)(C)O)C

Aroma Description:
amber, natural, musk, animal1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR5A1 - 10 2  vinegar, natural, amber, sharp, sour, animal, berry, musk
OR5A2 - 0 2   
OR5AN1 - 0 2   
 

SMILES:
CC1(CCC=C2C1CCC(C2)(C)O)C

Aroma Description:
amber, natural, musk, animal

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.) The Good Scents Company

2.) Keiichi Yoshikawa, Jun Deguchi, Hu Jieying et al. Diverse yet selective tuning of an odorant receptor for sensing four classes of musk compounds, 03 August 2022, PREPRINT (Version 1) available at Research Square [https://doi.org/10.21203/rs.3.rs-1916850/v1]