SMILES:
CC(CC1=CC=C(C=C1)C(C)(C)C)C=O

Aroma Description:
floral, muguet, watery, green, powdery, cumin1

Receptor Expression log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR3A1 92 -5.19 5, -5.19 6, -5.19 8 -  cork_taint
OR1D2 100 -2.65 2, -5.7 4 0.2129 2, (agonist) 4  rose, citrus, fresh, sweet, floral, waxy, fatty, bois_de_rose, peach, blueberry
OR2A7 ? -4.96 3 6.7857 3  pine, cumin, resinous, muguet, hay, watery
OR2T4 80 -4.96 3 5.7143 3  alliaceous, green_onion, onion, eggy, garlic
OR10S1 92 -4.89 3 5.3571 3  watery, peely, orange_peel, cilantro, waxy, floral
OR2W3 100 - 6.2791 7  sweet, lemon, citrus, clove
OR5P3 100 - -0.1626 10   
OR8H1 88 - -0.1626 10   
OR5K1 100 - -0.1626 10, -0.3429 11   
OR51I2 100 - -0.9091 9   
OR2W1 53 - -0.9091 9, -0.1626 10   
 

SMILES:
CC(CC1=CC=C(C=C1)C(C)(C)C)C=O

Aroma Description:
floral, muguet, watery, green, powdery, cumin

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.) Mainland JD, Li YR, Zhou T, Liu WL, Matsunami H. Human olfactory receptor responses to odorants. Sci Data. 2015 Feb 3;2:150002. doi: 10.1038/sdata.2015.2. PMID: 25977809; PMCID: PMC4412152.

3.) Emily A. Yasi, Sara L. Eisen, Hanfei Wang, Widianti Sugianto, Anita R. Minniefield, Kaitlyn A. Hoover, Paul J. Branham, and Pamela Peralta-Yahya Rapid Deorphanization of Human Olfactory Receptors in Yeast Biochemistry 2019, 58, 2160-2166

4.) B.L. Cook, D. Steuerwald, L. Kaiser, J. Graveland-Bikker, M. Vanberghem, A.P. Berke, K. Herlihy, H. Pick, H. Vogel, S. Zhang, Large-scale production and study of a synthetic G protein-coupled receptor: Human olfactory receptor 17-4, Proc. Natl. Acad. Sci. USA 106 (2009) 11925-11930

5.) Jacquier V, Pick H, Vogel H. Characterization of an extended receptive ligand repertoire of the human olfactory receptor OR17-40 comprising structurally related compounds. J Neurochem. 2006 Apr;97(2):537-44. doi: 10.1111/j.1471-4159.2006.03771.x. Epub 2006 Mar 15. PMID: 16539658.

6.) 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.

7.) 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.

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.) Aya Kato, Naoko Saito, Etsuji Wakisaka (2016) Method for searching for malodor control agent, malodor control agent, and malodor control method. US9526680B2

10.) Aya Kato, Naoko Saito (2015) Odor control agent. JP5798382B2

11.) Aya Kato, Naoko Saito, Michiaki Inoue, Kayoko Nomizu (2015) Method of identifying an agent for inhibiting odor of pyrazine derivatives US9057090B2

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