SMILES:
C1=CC=CC=C1
Aroma Description:
gasoline, phenolic, solvent, cinnamon1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR10H1 | -1.66 2 | 0.0692 2 | greasy, sandalwood | |
| OR5K1 | - | 0.2167 3 | hazelnut, nutty, peanut, roasted, cocoa | |
| OR10G3 | - | 0 3 | ||
| OR10J5 | - | 0 3, 0 4 | ||
| OR1C1 | - | 0 3 | ||
| OR2A25 | - | 0 3 | ||
| OR2B11 | - | 0 3 | ||
| OR2J2 | - | 0 3, 0 4 | ||
| OR2J3 | - | 0 3 | ||
| OR2W1 | - | 0 3, 0 4 | ||
| OR51E1 | - | 0 3, 0 4 | ||
| OR51L1 | - | 0 3, 0 4 | ||
| OR56A4 | - | 0 3 | ||
| OR8D1 | - | 0 3 | ||
| OR8K3 | - | 0 3 | ||
| OR2C1 | - | 0 4 | ||
| OR10G7 | - | -0.0667 3 | ||
| OR11A1 | - | -0.5 3 | ||
| OR1A1 | - | -1.6667 3, 0 4 | ||
| OR5P3 | - | -2.6333 3, 0 4 |
SMILES:
C1=CC=CC=C1
Aroma Description:
gasoline, phenolic, solvent, cinnamon
| 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.) https://www.primaryodors.org
2.) Mainland JD, Li YR, Zhou T, Liu WL, Matsunami H. Human olfactory receptor responses to odorants. Sci Data. 2015 Feb 3;2:150002. doi: 10.1038/sdata.2015.2. PMID: 25977809; PMCID: PMC4412152.
3.) Adipietro KA, Mainland JD, Matsunami H (2012) Functional Evolution of Mammalian Odorant Receptors. PLoS Genet 8(7): e1002821. doi:10.1371/ journal.pgen.1002821
4.) Saito H, Chi Q, Zhuang H, Matsunami H, Mainland JD. Odor coding by a Mammalian receptor repertoire. Sci Signal. 2009 Mar 3;2(60):ra9. doi: 10.1126/scisignal.2000016. PMID: 19261596; PMCID: PMC2774247.