SMILES:
CC(=CCCC(=CC#N)C)C
Aroma Description:
aldehydic, citrus, lemon, metallic1
| Receptor | Expression | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|---|
| OR2W3 | 100 | - | 10 4 | sweet, lemon, citrus, clove | |
| OR52D1 | 100 | - | 3.9594 2 | dairy, cheesy, anise, milky, creamy, sour, sharp, peach, rancid, lactonic | |
| OR1G1 | 61 | - | 0.9645 2 | sweet, waxy, citrus, tart, orange, fresh, aldehydic, rose, floral, fatty | |
| OR1A1 | 73 | - | 0 3 | ||
| OR1A2 | 19 | - | 0 3 |
SMILES:
CC(=CCCC(=CC#N)C)C
Aroma Description:
aldehydic, citrus, lemon, metallic
| Receptor | Expr.% | Agonist? | Dock Score | Known agonist | Correlated Perceptual Qualities |
|---|
Dock Score is a measure of how strongly the algorithm thinks the odorant is likely to be an agonist of the receptor.
Receptors in italics are "orphans", i.e. receptors whose agonists have not been identified experimentally.
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.) Schmiedeberg K, Shirokova E, Weber HP, Schilling B, Meyerhof W, Krautwurst D. Structural determinants of odorant recognition by the human olfactory receptors OR1A1 and OR1A2. J Struct Biol. 2007 Sep;159(3):400-12. doi: 10.1016/j.jsb.2007.04.013. Epub 2007 May 25. PMID: 17601748.
4.) 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.