SMILES:
C1COC2=CC=CC=C2C1=O
Aroma Description:
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR8B2 | -4.9 1 | 8.4211 1 | animal | |
| OR2W1 | -4.04 2 | 9.5 2 | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
| OR1A1 | -3.34 2 | 9.8 2 | herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus | |
| OR5R1 | -3.8 1 | 7.6842 1 | spearmint, acacia, chemical, hawthorn, mimosa, tonka, almond, coumarinic | |
| OR10J5 | - | 0 2 | ||
| OR2C1 | - | 0 2 | ||
| OR2J2 | - | 0 2 | ||
| OR51E1 | - | 0 2 | ||
| OR51L1 | - | 0 2 | ||
| OR5P3 | - | 0 2 |
SMILES:
C1COC2=CC=CC=C2C1=O
Aroma Description:
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.) Xiaojing Cong, Wenwen Ren, Jody Pacalon, Claire A. de March, Lun Xu, Hiroaki Matsunami, Yiqun Yu, Jérôme Golebiowski Functions of olfactory receptors are decoded from their sequence https://doi.org/10.1101/2020.01.06.895540
2.) 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.