SMILES:
CC1=CCCC(C1\C=C\C(=O)C)(C)C
Aroma Description:
sweet, woody, floral, violet, orris, tropical, fruity1
| Receptor | Expression | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|---|
| OR10A6 | 100 | -6.13 6 | - | peach, sweet, coconut, floral, lactonic, cyclamen, neroli, waxy, dairy, honey | |
| OR51E2 | 96 | -5.5 3 | 10 3 | sour, vinegar, sharp, cheesy | |
| OR1A2 | 19 | - | 4 7 | citrus, waxy, aldehydic, orange, fresh, orange_peel, tart, rose, sweet, floral | |
| VN1R1 | ? | - | 2.0833 2 | lemon, lactonic, natural, grapefruit, sweet, jasmine, spearmint, tropical, oily, sharp | |
| OR4D1 | 100 | - | 0 4 | ||
| OR2T11 | 96 | - | 0 5 | Y | |
| OR11H4 | 100 | - | 0 6 | ||
| OR2AG2 | 100 | - | 0 6 | ||
| OR1A1 | 73 | - | 0 7 |
SMILES:
CC1=CCCC(C1\C=C\C(=O)C)(C)C
Aroma Description:
sweet, woody, floral, violet, orris, tropical, fruity
| 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.) I. Wallrabenstein, J. Gerber, S. Rasche, I. Croy, S. Kurtenbach, T. Hummel, H. Hatt, The smelling of Hedione results in sex-differentiated human brain activity, NeuroImage, Volume 113, 2015, Pages 365-373, ISSN 1053-8119
3.) Sanz G., Leray I., Grébert D., Antoine S., Acquistapace A., Muscat A., Boukadiri A., Mir L. M. Structurally related odorant ligands of the olfactory receptor OR51E2 differentially promote metastasis emergence and tumor growth. Oncotarget. 2017; 8: 4330-4341.
4.) Hartmann C, Triller A, Spehr M, Dittrich R, Hatt H, Buettner A. Sperm-Activating Odorous Substances in Human Follicular Fluid and Vaginal Secretion: Identification by Gas Chromatography–Olfactometry and Ca2 Imaging. Chempluschem 78: 695–702, 2013. doi:10.1002/cplu.201300008
5.) 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
6.) 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.
7.) Schmiedeberg K, Shirokova E, Weber HP, Schilling B, Meyerhof W, Krautwurst D. Structural determinants of odorant recognition by the human olfactory receptors OR1A1 and OR1A2. J Struct Biol. 2007 Sep;159(3):400-12. doi: 10.1016/j.jsb.2007.04.013. Epub 2007 May 25. PMID: 17601748.