SMILES:
CC1(CCCC2=C1CC(CC2)C=O)C
Aroma Description:
floral, clean, muguet, ozone, marine, sandy, balsamic1
SMILES:
CC1(CCCC2=C1CC(CC2)C=O)C
Aroma Description:
floral, clean, muguet, ozone, marine, sandy, balsamic
| 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.) Duroux R, Mandeau A, Guiraudie-Capraz G, Quesnel Y, Loing E. A Rose Extract Protects the Skin against Stress Mediators: A Potential Role of Olfactory Receptors. Molecules. 2020 Oct 16;25(20):4743. doi: 10.3390/molecules25204743. PMID: 33081083; PMCID: PMC7587601.
3.) Aya Kato, Naoko Saito (2015) Odor control agent. JP5798382B2