SMILES:
CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C
Aroma Description:
spicy, musk, woody, clean1
SMILES:
CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C
Aroma Description:
spicy, musk, woody, clean
| 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.) Ligand Specificity and Evolution of Mammalian Musk Odor Receptors: Effect of Single Receptor Deletion on Odor Detection Narumi Sato-Akuhara, Nao Horio, Aya Kato-Namba, Keiichi Yoshikawa, Yoshihito Niimura, Sayoko Ihara, Mika Shirasu, Kazushige Touhara Journal of Neuroscience 20 April 2016, 36 (16) 4482-4491; DOI: 10.1523/JNEUROSCI.3259-15.2016
3.) Omura M, Takabatake Y, Lempert E, Benjamin-Hong S, D'Hulst C, Feinstein P. A genetic platform for functionally profiling odorant receptors in olfactory cilia ex vivo. Sci Signal. 2022 Aug 9;15(746):eabm6112. doi: 10.1126/scisignal.abm6112. Epub 2022 Aug 9. PMID: 35944068.