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SMILES:
C1=CC=C2C(=C1)C=CC(=O)O2

Aroma Description:
coumarinic, hay, sweet, tonka1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR2J2 -3.68 6, -5 9 5.8333 5, 9.7 6  tart, carnation, orange, warm, hay, clove, cinnamon, sweet
OR2W1 -4.06 6, -5.3 9 2.3333 5, 9.5 6  fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit
OR1C1 -6 2 2.6667 5  blueberry, bois_de_rose
OR5P3 -5.44 2, -2.85 5, -5.25 6 6.357 2, 2.8333 5, 9.7 6  mimosa, hawthorn, coumarinic, hay, spearmint, caraway, orangeflower, naphthyl, acacia, blueberry
OR2B11 -3.45 2, -2.14 5, -3.5 7 1.8005 2, 9.3333 5, 9 7  tonka, medicinal, rubbery, coumarinic, hay, tobacco, candy, seafood, earthy, coffee
OR5R1 -5 3 7.7895 3  spearmint, acacia, chemical, hawthorn, mimosa, tonka, almond, coumarinic
OR11H12 -4.1 3 7.8947 3  spearmint, acacia, chemical, hawthorn, mimosa, almond, tonka
OR2J1 -7.85 2 0.0647 2  tonka, coumarinic, hay
OR1G1 - 3.2487 4  waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise
OR4N2 -2.29 2 0.4578 2  tonka, coumarinic, hay
OR2J3 - 1.8333 5  passionfruit, foliage, blackcurrant, currant, grassy, juicy, tart, warm, soapy, cinnamon
OR52D1 - 0.9645 4  anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp
OR10G7 - 0.1667 5  clove, carnation, smoky
OR10G3 - 0 5   
OR10J5 - 0 5, 0 6   
OR11A1 - 0 5   
OR1A1 - 0 5, 0 6   
OR2A25 - 0 5   
OR51E1 - 0 5, 0 6   
OR51L1 - 0 5, 0 6   
OR56A4 - 0 5   
OR5K1 - 0 5   
OR8D1 - 0 5   
OR8K3 - 0 5   
OR2C1 - 0 6   
TAAR5 - -1 8   
 

SMILES:
C1=CC=C2C(=C1)C=CC(=O)O2

Aroma Description:
coumarinic, hay, sweet, tonka

Receptor Dock Score Affinity A100 Correlated Perceptual Qualities

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.) 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.) Xiaojing Cong, Wenwen Ren, Jody Pacalon, Claire A. de March, Lun Xu, Hiroaki Matsunami, Yiqun Yu, Jérôme Golebiowski Functions of olfactory receptors are decoded from their sequence https://doi.org/10.1101/2020.01.06.895540

4.) 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

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

6.) 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.

7.) J.D. Mainland, A. Keller, Y.R. Li, T. Zhou, C. Trimmer, L.L. Snyder, A.H. Moberly, K.A. Adipietro, W.L.L. Liu, H. Zhuang et al, The missense of smell: functional variability in the human odorant receptor repertoire, Nat. Neurosci. 17 (2014) 114-120

8.) Wallrabenstein I, Singer M, Panten J, Hatt H, Gisselmann G. Timberol® Inhibits TAAR5-Mediated Responses to Trimethylamine and Influences the Olfactory Threshold in Humans. PLoS One. 2015;10(12):e0144704. Published 2015 Dec 18. doi:10.1371/journal.pone.0144704

9.) 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.