SMILES:
C[C@@H](CCC=C(C)C)CCO

Aroma Description:
citrus, fatty, floral, fruity, green, leathery, rose, sweet, terpenic, waxy1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR1A1 -4.04 2, -5.03 3, -5.03 4 9 2, 4 4  herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus
OR10A6 -6.7 7 -  floral, honey, rhubarb, neroli, cyclamen, cinnamyl, hyacinth, rose, dirty, balsamic
OR2AG2 -5.87 7 -  cinnamyl, cinnamon, hyacinth, floral, rose, balsamic, neroli, blueberry
OR2M2 -5 8 -  leathery, terpenic, rose
OR2W1 -5.11 2 9.5 2  fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit
OR1D2 -4.51 5 -  rose, peach, bois_de_rose, citrus, floral, fresh, lactonic, waxy, lime, blueberry
OR2M7 -3.85 2 9 2  eggy, cabbage, alliaceous, garlic
OR2W3 - 1.8605 6  lemon, citrus
OR10J5 - 0 2   
OR2C1 - 0 2   
OR2J2 - 0 2   
OR51E1 - 0 2   
OR51L1 - 0 2   
OR5P3 - 0 2   
OR1A2 - 0 3, 0 4   
OR11H4 - 0 7   
 

SMILES:
C[C@@H](CCC=C(C)C)CCO

Aroma Description:
citrus, fatty, floral, fruity, green, leathery, rose, sweet, terpenic, waxy

Receptor Dock Score Affinity A100 Correlated Perceptual Qualities
OR51E1 0 0 0  

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.) Saito H, Chi Q, Zhuang H, Matsunami H, Mainland JD. Odor coding by a Mammalian receptor repertoire. Sci Signal. 2009 Mar 3;2(60):ra9. doi: 10.1126/scisignal.2000016. PMID: 19261596; PMCID: PMC2774247.

3.) Silva Teixeira CS, Silva Ferreira AC, Cerqueira NM. Studying Haloanisoles Interaction with Olfactory Receptors. ACS Chem Neurosci. 2016 Jul 20;7(7):870-85. doi: 10.1021/acschemneuro.5b00335. Epub 2016 May 9. PMID: 27092849.

4.) 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.

5.) Veithen, A.; Wilin, F.; Philippeau, M.; Chatelain, P. OR1D2 is a broadly tuned human olfactory receptor. Chem. Senses 2015, 40, 262–263.

6.) 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.

7.) 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.

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.