SMILES:
O=C(C1=C(CCCC1(C)C)C)\C=C\C
Aroma Description:
berry, currant, floral, fruity, honey, plum, rose, tobacco1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR8K3 | - | 2.3333 2 | mentholic, currant, plum | |
| OR4C3 | - | 1.9231 5 | currant, plum, rose | |
| OR5L1 | - | 1.9231 5 | currant, plum, ambrette, honey | |
| OR10G3 | - | 0 2 | ||
| OR10J5 | - | 0 2 | ||
| OR11A1 | - | 0 2 | ||
| OR1C1 | - | 0 2 | ||
| OR2A25 | - | 0 2 | ||
| OR2B11 | - | 0 2 | ||
| OR2J2 | - | 0 2 | ||
| OR2J3 | - | 0 2 | ||
| OR2W1 | - | 0 2 | ||
| OR51E1 | - | 0 2 | ||
| OR51L1 | - | 0 2 | ||
| OR56A4 | - | 0 2 | ||
| OR8D1 | - | 0 2 | ||
| OR5A1 | - | 0 3 | ||
| OR5A2 | - | 0 3 | ||
| OR5AN1 | - | 0 3 | ||
| OR2T11 | - | 0 4 | Y | |
| OR5I1 | - | 0 5 | ||
| OR10G7 | - | -0.0667 2 | ||
| OR5K1 | - | 0.2267 2, -0.4 6 | hazelnut, nutty, peanut, roasted, cocoa | |
| OR1A1 | - | -1.3333 2 | ||
| OR5P3 | - | -2.6667 2 |
SMILES:
O=C(C1=C(CCCC1(C)C)C)\C=C\C
Aroma Description:
berry, currant, floral, fruity, honey, plum, rose, tobacco
| 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.) Adipietro KA, Mainland JD, Matsunami H (2012) Functional Evolution of Mammalian Odorant Receptors. PLoS Genet 8(7): e1002821. doi:10.1371/ journal.pgen.1002821
3.) Keiichi Yoshikawa, Jun Deguchi, Hu Jieying et al. Diverse yet selective tuning of an odorant receptor for sensing four classes of musk compounds, 03 August 2022, PREPRINT (Version 1) available at Research Square [https://doi.org/10.21203/rs.3.rs-1916850/v1]
4.) Antagonistic interactions between odorants alter human odor perception Yosuke Fukutani, Masashi Abe, Haruka Saito, Ryo Eguchi, Toshiaki Tazawa, Claire A. de March, Masafumi Yohda, Hiroaki Matsunami bioRxiv 2022.08.02.502184; doi: https://doi.org/10.1101/2022.08.02.502184
5.) Ashti Baghaei, K. (2015). Large scale analysis of olfactory receptors with highly genetically variations in relation with specific anosmia (Doctoral dissertation, Bochum, Ruhr-Universität Bochum, Diss., 2013).
6.) Aya Kato, Naoko Saito, Michiaki Inoue, Kayoko Nomizu (2015) Method of identifying an agent for inhibiting odor of pyrazine derivatives US9057090B2