SMILES:
CC(CC1=CC2=C(C=C1)OCO2)C=O

Aroma Description:
cyclamen, fresh, green, hay, ozone, watery1

Receptor Expression log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR3A1 92 -2.69 2, -5.01 6, -5.01 7, -5.01 10 0.3715 2, 10 5, (agonist) 6, (agonist) 7, (agonist) 10, 10 11, 8.0769 12  cork_taint
OR1A1 73 -6.59 7, -6.59 8, -6.59 10 4 4, (agonist) 7, 5 8, (agonist) 10  sweet, citrus, fresh, rose, herbal, waxy, orange, spearmint, floral, aldehydic
OR1A2 19 -6.47 7, -6.47 8, -6.47 10 -  citrus, waxy, aldehydic, orange, fresh, orange_peel, tart, rose, sweet, floral
OR2W1 53 - 4.6 4  sweet, tart, hay, fatty, coumarinic, orange, peony, cinnamon, herbal, tonka
OR52D1 100 - 2.3858 3  dairy, cheesy, anise, milky, creamy, sour, sharp, peach, lactonic, rancid
OR2J3 100 - 1.3333 4  tart, hay, sweet, foliage, passionfruit, cinnamon, warm, blackcurrant, coumarinic, candy
OR2J2 92 - 0.6 4  tart, sweet, carnation, hay, orange, warm, cinnamon, clove, coumarinic
OR1G1 61 - 0.3046 3  sweet, waxy, citrus, fresh, tart, orange, aldehydic, floral, rose, fatty
OR10G3 96 - 0 4   
OR10G7 80 - 0 4   
OR10J5 84 - 0 4   
OR11A1 100 - 0 4   
OR1C1 100 - 0 4   
OR2A25 100 - 0 4   
OR2B11 100 - 0 4   
OR51E1 100 - 0 4   
OR51L1 88 - 0 4   
OR56A4 100 - 0 4   
OR8K3 92 - 0 4   
OR5A1 100 - 0 9   
OR5AN1 100 - 0 9   
OR2AG1 100 - 0 12   
OR8D1 96 - -0.025 4   
OR5K1 100 - 0 4, -0.3571 13   
OR5P3 100 - -2.3833 4   
TAAR5 ? -5 14 -5 14 Y 
 

SMILES:
CC(CC1=CC2=C(C=C1)OCO2)C=O

Aroma Description:
cyclamen, fresh, green, hay, ozone, watery

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.) Guenhael Sanz, Claire Schlegel, Jean-Claude Pernollet and Loic Briand Comparison of Odorant Specificity of Two Human Olfactory Receptors from Different Phylogenetic Classes and Evidence for Antagonism Chemical Senses vol. 30 no. 1 (2005) doi:10.1093/chemse/bji002

4.) Adipietro KA, Mainland JD, Matsunami H (2012) Functional Evolution of Mammalian Odorant Receptors. PLoS Genet 8(7): e1002821. doi:10.1371/ journal.pgen.1002821

5.) Christian H. Wetzel, Markus Oles, Christiane Wellerdieck, Michael Kuczkowiak, Günter Gisselmann, Hanns Hatt Specificity and Sensitivity of a Human Olfactory Receptor Functionally Expressed in Human Embryonic Kidney 293 Cells andXenopus Laevis Oocytes Journal of Neuroscience 1 September 1999, 19 (17) 7426-7433; DOI: 10.1523/JNEUROSCI.19-17-07426.1999

6.) 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.

7.) 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.

8.) 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.

9.) Keiichi Yoshikawa, Jun Deguchi, Hu Jieying et al. Diverse yet selective tuning of an odorant receptor for sensing four classes of musk compounds, 03 August 2022, PREPRINT (Version 1) available at Research Square [https://doi.org/10.21203/rs.3.rs-1916850/v1]

10.) 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.

11.) Lee, S. H., Kwon, O. S., Song, H. S., Park, S. J., Sung, J. H., Jang, J. and Park, T. H. (2012), Mimicking the human smell sensing mechanism with an artificial nose platform, Biomaterials, 33: 1722- 1729.

12.) Kwon, O. S., Song, H. S., Park, S. J., Lee, S. H., An, J. H., Park, J. W., Yang, H. H., Yoon, H., Bae, J., Park, T. H. and Jang, J. (2015), An Ultrasensitive, Selective, Multiplexed Superbioelectronic Nose That Mimics the Human Sense of Smell, Nano Lett., 15: 6559-6567.

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

14.) Reina Kanemaki Kahori Kishigami, Mei Saito, Masafumi Yohda, and Yosuke Fukutani. Harnessing Odorant Receptor Activation to Suppress Real Malodor. Int. J. Mol. Sci. 2025, 26, 1566.

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