SMILES:
C/C=C/C(=O)C1C(=CCCC1(C)C)C
Aroma Description:
floral, rose, apple, fruity, black_currant, sweet, green, berry1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR1L3 | -4.6 2 | 9 2 | chocolate, vanilla, berry, apple | |
| OR5AC2 | -4.7 2 | 8 2 | berry, cotton_candy, apple, strawberry, plum, chocolate, tropical, fruity, sweet, carnation | |
| OR2G2 | -4.8 2 | 6.5 2 | berry, candy, cotton_candy, strawberry, chocolate, warm, vanilla, cinnamon | |
| OR2T10 | -4.7 2 | 6.7 2 | berry, bergamot, cotton_candy, strawberry, lavender, lime, candy, caramellic, chocolate | |
| OR2T34 | -4.9 2 | 5.8 2 | fennel, marine, ozone, apple, candy, plum, anise, chocolate, green, warm | |
| OR2M4 | -4.8 2 | 4.7 2 | fennel, anise, narcissus, naphthyl | |
| OR2T11 | - | 0 3 | Y | |
| OR10A6 | - | 0 4 | ||
| OR11H4 | - | 0 4 | ||
| OR2AG2 | - | 0 4 |
SMILES:
C/C=C/C(=O)C1C(=CCCC1(C)C)C
Aroma Description:
floral, rose, apple, fruity, black_currant, sweet, green, berry
| 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.) D. Gonzalez-Kristeller, J.B.P. do Nascimento, P.A.F. Galante, B. Malnic, Identification of agonists for a group of human odorant receptors, Front. Pharmacol. 6 (2015)
3.) 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
4.) Duroux R, Mandeau A, Guiraudie-Capraz G, Quesnel Y, Loing E. A Rose Extract Protects the Skin against Stress Mediators: A Potential Role of Olfactory Receptors. Molecules. 2020 Oct 16;25(20):4743. doi: 10.3390/molecules25204743. PMID: 33081083; PMCID: PMC7587601.