SMILES:
CCOC1=C(C=CC(=C1)C=O)O
Aroma Description:
sweet, creamy, vanilla, caramellic1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR10G3 | -2.1 4, -5.01 8 | 0.6667 4 | vanilla, chocolate, creamy | |
| OR10G4 | -4.9 6 | 9.5 6 | vanilla | |
| OR2J2 | -4 2 | 2.3487 2, 3.3333 4 | tart, carnation, orange, warm, hay, clove, cinnamon, sweet | |
| OR2W3 | - | 7.907 7 | lemon, citrus | |
| OR1G1 | - | 3.2995 3 | waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise | |
| OR3A1 | -2.73 2 | 0.2887 2 | cork_taint | |
| OR6C65 | -2.68 2 | 0.3535 2 | (insufficient data) | |
| OR8B8 | -2.63 2 | 0.2792 2 | cilantro | |
| OR52D1 | - | 0.7614 3 | anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp | |
| OR10H2 | - | 0.3944 2 | candy, warm, lavender, cinnamon, rummy | |
| OR10G7 | - | 0.2333 4 | clove, carnation, smoky | |
| OR7D4 | - | 0.2 5 | animal | |
| OR10J5 | - | 0 4 | ||
| OR11A1 | - | 0 4 | ||
| OR1C1 | - | 0 4 | ||
| OR2A25 | - | 0 4 | ||
| OR2J3 | - | 0 4 | ||
| OR2W1 | - | 0 4 | ||
| OR51E1 | - | 0 4 | ||
| OR51L1 | - | 0 4 | ||
| OR56A4 | - | 0 4 | ||
| OR5K1 | - | 0 4 | ||
| OR8K3 | - | 0 4 | ||
| OR8D1 | - | -0.0167 4 | ||
| OR2B11 | - | -0.5 4 | ||
| OR1A1 | - | -1.5667 4 | ||
| OR5P3 | - | -1.6333 4 |
SMILES:
CCOC1=C(C=CC(=C1)C=O)O
Aroma Description:
sweet, creamy, vanilla, caramellic
| 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.) 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
4.) Adipietro KA, Mainland JD, Matsunami H (2012) Functional Evolution of Mammalian Odorant Receptors. PLoS Genet 8(7): e1002821. doi:10.1371/ journal.pgen.1002821
5.) Keller A, Zhuang H, Chi Q, Vosshall LB, Matsunami H. Genetic variation in a human odorant receptor alters odour perception. Nature. 2007 Sep 27;449(7161):468-72. doi: 10.1038/nature06162. Epub 2007 Sep 16. PMID: 17873857.
6.) J.D. Mainland, A. Keller, Y.R. Li, T. Zhou, C. Trimmer, L.L. Snyder, A.H. Moberly, K.A. Adipietro, W.L.L. Liu, H. Zhuang et al, The missense of smell: functional variability in the human odorant receptor repertoire, Nat. Neurosci. 17 (2014) 114-120
7.) 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.
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.