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

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

Receptor Expression log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR1A1 73 -4.04 2, -5.03 3, -5.03 4 9 2, (agonist) 3, 4 4, 2 9  sweet, citrus, fresh, rose, herbal, waxy, orange, spearmint, floral, aldehydic
OR1D2 100 -4.51 5 -  rose, citrus, fresh, sweet, floral, waxy, fatty, bois_de_rose, peach, blueberry
OR10A6 100 -6.7 7 -  peach, sweet, coconut, floral, lactonic, cyclamen, neroli, waxy, dairy, honey
OR2AG2 100 -5.87 7 -  cinnamyl, sweet, cinnamon, floral, rose, balsamic, hyacinth, honey, magnolia, citrus
OR2W1 53 -5.11 2 9.5 2  sweet, tart, hay, fatty, coumarinic, orange, peony, cinnamon, herbal, tonka
OR2A25 100 -4.55 9 10 9  rose, peony, floral, geranium, citrus
OR2M7 34 -3.85 2 9 2  alliaceous, eggy, cabbage, garlic
OR2M2 100 -5 8 -  grapefruit, alliaceous, gardenia, bitter, garlic, aromatic
OR2W3 100 - 1.8605 6  sweet, lemon, citrus, clove
OR10J5 84 - 0 2   
OR2C1 100 - 0 2   
OR2J2 92 - 0 2   
OR51E1 100 - 0 2   
OR51L1 88 - 0 2   
OR5P3 100 - 0 2   
OR1A2 19 - 0 3, 0 4   
OR11H4 100 - 0 7   
 

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

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

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.) 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.

9.) Roger Emter, Christel Merillat, Fiona Buchli, Felix Flachsmann, Andreas Natsch. Decoding human olfaction by high heterologous expression of odorant receptors detecting signature odorants. Current Biology, October 10, 2025

×
 
 

Code version:
 

Docker used:
 

Files:
Active model: text 3D download
Inactive model: text 3D download
Active dock: text 3D download
Inactive dock: text 3D download
JSON entry: text   download