SMILES:
CCOC1=C(C=CC(=C1)C=O)O

Aroma Description:
sweet, creamy, vanilla, caramellic1

Receptor Expression log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR10G3 96 -2.1 4, -5.01 8, -5.44 9 0.6667 4, (agonist) 8  vanilla, carnation
OR10G4 88 -4.9 6 9.5 6  vanilla, carnation, clove
OR10G7 80 -4.5 9 0.2333 4  vanilla, clove, carnation, spicy, smoky
OR2J2 92 -4 2 2.3487 2, 3.3333 4  tart, sweet, carnation, hay, orange, warm, cinnamon, clove, coumarinic
OR2W3 100 - 7.907 7  sweet, lemon, citrus, clove
OR1G1 61 - 3.2995 3  sweet, waxy, citrus, fresh, tart, orange, aldehydic, floral, rose, fatty
OR3A1 92 -2.73 2 0.2887 2  cork_taint
OR6C65 11 -2.68 2 0.3535 2  (insufficient data)
OR8B8 100 -2.63 2 0.2792 2  caramellic, cilantro, chicken_fat, sweet, vanilla
OR52D1 100 - 0.7614 3  dairy, cheesy, anise, milky, creamy, sour, sharp, peach, lactonic, rancid
OR10H2 69 - 0.3944 2  watery, marine, candy, cinnamon, warm, vanilla, sweet, clean, spicy
OR7D4 96 - 0.2 5  animal, citrus, orange, peely, tart, aldehydic, blueberry
OR10J5 84 - 0 4   
OR11A1 100 - 0 4   
OR1C1 100 - 0 4   
OR2A25 100 - 0 4   
OR2J3 100 - 0 4   
OR2W1 53 - 0 4   
OR51E1 100 - 0 4   
OR51L1 88 - 0 4   
OR56A4 100 - 0 4   
OR5K1 100 - 0 4   
OR8K3 92 - 0 4   
OR10D3 ? - 0 9   
OR8D1 96 - -0.0167 4   
OR2B11 100 - -0.5 4   
OR1A1 73 - -1.5667 4   
OR5P3 100 - -1.6333 4   
 

SMILES:
CCOC1=C(C=CC(=C1)C=O)O

Aroma Description:
sweet, creamy, vanilla, caramellic

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.) Keller A, Zhuang H, Chi Q, Vosshall LB, Matsunami H. Genetic variation in a human odorant receptor alters odour perception. Nature. 2007 Sep 27;449(7161):468-72. doi: 10.1038/nature06162. Epub 2007 Sep 16. PMID: 17873857.

6.) 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

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.) 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