2-isobutyl-3-methoxypyrazine
SMILES:
n1c(CC(C)C)c(OC)ncc1
Aroma Description:
green_pea, bell_pepper, green, galbanum1
| Receptor | Expression | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|---|
| OR5K1 | 100 | -4.75 4, -5.5 6 | 2.8 3, 5.641 6 | hazelnut, nutty, peanut, roasted, almond | |
| OR2AG1 | 100 | -6.1 5, -6 6 | 4.1176 5, 6.7521 6 | green_pea, galbanum, sweet, honey, pepper, heliotrope, banana | |
| OR52D1 | 100 | - | 2.9442 2 | dairy, cheesy, anise, milky, creamy, sour, sharp, peach, rancid, lactonic | |
| OR1G1 | 61 | - | 2.4365 2 | sweet, waxy, citrus, tart, orange, fresh, aldehydic, rose, floral, fatty | |
| OR3A4 | 73 | - | 0.75 7 | cork_taint, green_pea | |
| OR51S1 | 38 | - | 0.375 7 | dairy, milky, lactonic, peach, creamy, cheesy, coconut |
2-isobutyl-3-methoxypyrazine
SMILES:
n1c(CC(C)C)c(OC)ncc1
Aroma Description:
green_pea, bell_pepper, green, galbanum
| Receptor | Expr.% | Agonist? | Dock Score | Known agonist | Correlated Perceptual Qualities |
|---|
Dock Score is a measure of how strongly the algorithm thinks the odorant is likely to be an agonist of the receptor.
Receptors in italics are "orphans", i.e. receptors whose agonists have not been identified experimentally.
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.) Marcinek, Patrick, et al. "An evolutionary conserved olfactory receptor for foodborne and semiochemical alkylpyrazines." The FASEB Journal 35.6 (2021): e21638.
4.) Alessandro Nicoli, Franziska Haag, Patrick Marcinek, Ruiming He, Johanna Kreißl, Jörg Stein, Alessandro Marchetto, Andreas Dunkel, Thomas Hofmann, Dietmar Krautwurst, Antonella Di Pizio Modeling the Orthosteric Binding Site of the G Protein-Coupled Odorant Receptor OR5K1. bioRxiv 2022.06.01.494157; doi: https://doi.org/10.1101/2022.06.01.494157
5.) Chatelain P., Wilkin F., Veithen A., Philippeau M., Noiset O., Quesnel Y. Sensorial Chemistry: Functional characterization and structure-activity relationship understanding of OR5K1 and OR2AG1 allow to design and synthetize new selective compounds. Chem. Senses. 2017;42:e28.
6.) Françoise, W., Philippeau, M., Veithen, A., Chatelain, P., & Quesnel, Y. (2016, May). Functional characterization of human olfactory receptors responding to pyrazine odorants. In CHEMICAL SENSES (Vol. 41, No. 4, pp. 433-434). GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND: OXFORD UNIV PRESS.
7.) Son, M., D. G. Cho, J. H. Lim, J. Park, S. Hong, H. J. Ko, and Park, T. H. (2015) Real-time monitoring of geosmin and 2- methylisoborneol, representative odor compounds in water pollution using bioelectronic nose with human-like performance, Biosens. Bioelectron., 74: 199–206.