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 | - | herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus | |
| OR1A2 | -6.62 4, -6.62 5, -6.62 8 | - | citrus, orange_peel, aldehydic, melon, waxy, ozone, orange, lime | |
| OR1D2 | -4.12 6 | - | rose, peach, bois_de_rose, citrus, floral, fresh, lactonic, waxy, lime, blueberry | |
| OR2W1 | -4.68 3 | 1.2419 3 | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
| OR1G1 | - | 3.1472 2 | waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise | |
| OR52D1 | - | 1.1168 2 | anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp | |
| OR51B4 | - | 0 7 |
SMILES:
C[C@@H](CCC=C(C)C)CC=O
Aroma Description:
citrus, clean, herbal
| 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
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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
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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.