SMILES:
C=CCOC(=O)CC1=CC=CC=C1
Aroma Description:
honey, fruity, rummy1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR2W1 | -3.55 3, -4.81 4, -5.19 5, -8.3 6 | 5.3333 3, 9.8 4 | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
| OR51L1 | -7.92 2, -2.55 3, -4.17 4, -6.04 6 | 4.9945 2, 1.4 3, 9 4 | rummy, sweaty, honey, sour | |
| OR1A1 | -5.12 4 | 4.3333 3, 9.7 4 | herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus | |
| OR10G7 | - | 0 3 | ||
| OR10J5 | - | 0 3, 0 4 | ||
| OR1C1 | - | 0 3 | ||
| OR2A25 | - | 0 3 | ||
| OR2B11 | - | 0 3 | ||
| OR2J2 | - | 0 3, 0 4 | ||
| OR2J3 | - | 0 3 | ||
| OR2W3 | - | 0 3 | ||
| OR51E1 | - | 0 3, 0 4 | ||
| OR56A4 | - | 0 3 | ||
| OR5K1 | - | 0 3 | ||
| OR8D1 | - | 0 3 | ||
| OR8K3 | - | 0 3 | ||
| OR2C1 | - | 0 4 | ||
| OR10G3 | - | -0.0167 3 | ||
| OR11A1 | - | -0.6667 3 | ||
| OR5P3 | - | -2.6667 3, 0 4 |
SMILES:
C=CCOC(=O)CC1=CC=CC=C1
Aroma Description:
honey, fruity, rummy
| 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.) Mainland JD, Li YR, Zhou T, Liu WL, Matsunami H. Human olfactory receptor responses to odorants. Sci Data. 2015 Feb 3;2:150002. doi: 10.1038/sdata.2015.2. PMID: 25977809; PMCID: PMC4412152.
3.) Adipietro KA, Mainland JD, Matsunami H (2012) Functional Evolution of Mammalian Odorant Receptors. PLoS Genet 8(7): e1002821. doi:10.1371/ journal.pgen.1002821
4.) Saito H, Chi Q, Zhuang H, Matsunami H, Mainland JD. Odor coding by a Mammalian receptor repertoire. Sci Signal. 2009 Mar 3;2(60):ra9. doi: 10.1126/scisignal.2000016. PMID: 19261596; PMCID: PMC2774247.
5.) Haag, Franziska et al. “Copper-mediated thiol potentiation and mutagenesis-guided modeling suggest a highly conserved copper-binding motif in human OR2M3.” Cellular and molecular life sciences : CMLS vol. 77,11 (2020): 2157-2179. doi:10.1007/s00018-019-03279-y
6.) 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.