SMILES:
O=C1C=COC(C)=C1O
Aroma Description:
sweet, caramellic, cotton_candy, jammy, fruity, bread, baked1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR1B1 | - | 6.7308 4 | cotton_candy, jammy, caramellic | |
| OR1G1 | - | 4.5685 2 | waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise | |
| OR2W3 | - | 2.3256 3 | lemon, citrus | |
| OR52D1 | - | 1.0152 2 | anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp | |
| OR5I1 | - | 0 4 |
SMILES:
O=C1C=COC(C)=C1O
Aroma Description:
sweet, caramellic, cotton_candy, jammy, fruity, bread, baked
| Receptor | Dock Score | Affinity | A100 | 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.
A100: A measure of the degree of activation of the receptor. See
Ibrahim et al (2019).
1.) The Good Scents Company
2.) Guenhael Sanz, Claire Schlegel, Jean-Claude Pernollet and Loic Briand Comparison of Odorant Specificity of Two Human Olfactory Receptors from Different Phylogenetic Classes and Evidence for Antagonism Chemical Senses vol. 30 no. 1 (2005) doi:10.1093/chemse/bji002
3.) Huang, J., Lam, H., Koziol-White, C., Limjunyawong, N., Kim, D., Kim, N., ... & An, S. S. (2020). The odorant receptor OR2W3 on airway smooth muscle evokes bronchodilation via a cooperative chemosensory tradeoff between TMEM16A and CFTR. Proceedings of the National Academy of Sciences, 117(45), 28485-28495.
4.) Ashti Baghaei, K. (2015). Large scale analysis of olfactory receptors with highly genetically variations in relation with specific anosmia (Doctoral dissertation, Bochum, Ruhr-Universität Bochum, Diss., 2013).