SMILES:
C[C@@H](CCC=C(C)C)CC=O
Aroma Description:
citrus, clean, herbal1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR1A1 | -6.66 4, -6.66 5, -6.66 8 | - | passionfruit, herbal, orange, caraway, weedy, hay, spearmint, licorice, plastic, mushroom | |
| OR1A2 | -6.62 4, -6.62 5, -6.62 8 | - | ozone, orange, aldehydic, peel, citrus, spearmint, caraway, rose, green, tart | |
| OR1D2 | -4.12 6 | - | rose, peach, bois_de_rose, citrus, floral, fresh, lactonic, coconut, lime, waxy | |
| OR2W1 | -4.68 3 | 1.2419 3 | sweet, herbal, tart, fatty, orange, passionfruit, fresh, mimosa, rancid, mushroom | |
| OR1G1 | - | 3.1472 2 | waxy, tart, orange, sweet, aldehydic, medicinal, citrus, clean, fresh, anise | |
| OR52D1 | - | 1.1168 2 | anise, cheesy, rancid, orange, dairy, sour, sweet, tart, sharp, pineapple | |
| OR51B4 | - | 0 7 |
SMILES:
C[C@@H](CCC=C(C)C)CC=O
Aroma Description:
citrus, clean, herbal
| Receptor | Docking Score | Correlated Perceptual Qualities |
|---|
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.) Audouze K, Tromelin A, Le Bon AM, Belloir C, Petersen RK, et al. () Identification of Odorant-Receptor Interactions by Global Mapping of the Human Odorome. PLoS ONE 9(4): e93037. doi:10.1371/journal.pone.0093037
4.) Silva Teixeira CS, Silva Ferreira AC, Cerqueira NM. Studying Haloanisoles Interaction with Olfactory Receptors. ACS Chem Neurosci. 2016 Jul 20;7(7):870-85. doi: 10.1021/acschemneuro.5b00335. Epub 2016 May 9. PMID: 27092849.
5.) 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.
6.) Veithen, A.; Wilin, F.; Philippeau, M.; Chatelain, P. OR1D2 is a broadly tuned human olfactory receptor. Chem. Senses 2015, 40, 262–263.
7.) 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
8.) Dunkel, A.; Steinhaus, M.; Kotthoff, M.; Nowak, B.; Krautwurst, D.; Schieberle, P.; Hofmann, T. Nature’s chemical signatures in human olfaction: A foodborne perspective for future biotechnology. Angew. Chem. Int. Ed. Engl. 2014, 53, 7124–7143.