SMILES:
CC(=CCC/C(=C\CO)/C)C
Aroma Description:
citrus, floral, fresh, green, lemon, lime, magnolia, natural, neroli, spicy, sweet, waxy1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR10A6 | -6.22 4 | - | floral, honey, rhubarb, neroli, cyclamen, cinnamyl, hyacinth, rose, dirty, balsamic | |
| OR2AG2 | -5.29 4 | - | cinnamyl, cinnamon, hyacinth, floral, rose, balsamic, neroli, blueberry | |
| OR2W3 | -3.2 3 | 6.0465 3, 1 5 | lemon, citrus | |
| OR1A1 | - | 5 6 | herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus | |
| OR1A2 | - | 5 6 | citrus, orange_peel, aldehydic, melon, waxy, ozone, orange, lime | |
| OR51B4 | - | 0 2 | ||
| OR11H4 | - | 0 4 |
SMILES:
CC(=CCC/C(=C\CO)/C)C
Aroma Description:
citrus, floral, fresh, green, lemon, lime, magnolia, natural, neroli, spicy, sweet, waxy
| 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.) Weber, Lea et al. “Activation of odorant receptor in colorectal cancer cells leads to inhibition of cell proliferation and apoptosis.” PloS one vol. 12,3 e0172491. 8 Mar. 2017, doi:10.1371/journal.pone.0172491
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.) Duroux R, Mandeau A, Guiraudie-Capraz G, Quesnel Y, Loing E. A Rose Extract Protects the Skin against Stress Mediators: A Potential Role of Olfactory Receptors. Molecules. 2020 Oct 16;25(20):4743. doi: 10.3390/molecules25204743. PMID: 33081083; PMCID: PMC7587601.
5.) Flegel C, Vogel F, Hofreuter A, Schreiner BS, Osthold S, Veitinger S, Becker C, Brockmeyer NH, Muschol M, Wennemuth G, Altmüller J, Hatt H, Gisselmann G. Characterization of the Olfactory Receptors Expressed in Human Spermatozoa. Front Mol Biosci. 2016 Jan 7;2:73. doi: 10.3389/fmolb.2015.00073. PMID: 26779489; PMCID: PMC4703994.
6.) 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.