SMILES:
CC(=O)C(C)C(=O)CCCCC
Aroma Description:
burnt, caramellic, fruity, hay1
| Receptor | Expression | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|---|
| OR1A1 | 73 | -6.55 2, -6.16 5 | - | sweet, citrus, fresh, rose, herbal, waxy, orange, spearmint, floral, aldehydic | |
| OR2W1 | 53 | -3.317 4 | - | sweet, tart, hay, fatty, coumarinic, orange, peony, cinnamon, herbal, tonka | |
| OR5B12 | 100 | - | 0 5 |
SMILES:
CC(=O)C(C)C(=O)CCCCC
Aroma Description:
burnt, caramellic, fruity, hay
| 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.) Christiane Geithe, Franziska Noe, Johanna Kreissl, Dietmar Krautwurst, The Broadly Tuned Odorant Receptor OR1A1 is Highly Selective for 3-Methyl-2,4-nonanedione, a Key Food Odorant in Aged Wines, Tea, and Other Foods, Chemical Senses, Volume 42, Issue 3, 1 March 2017, Pages 181–193, https://doi.org/10.1093/chemse/bjw117
3.) Omura M, Takabatake Y, Lempert E, Benjamin-Hong S, D'Hulst C, Feinstein P. A genetic platform for functionally profiling odorant receptors in olfactory cilia ex vivo. Sci Signal. 2022 Aug 9;15(746):eabm6112. doi: 10.1126/scisignal.abm6112. Epub 2022 Aug 9. PMID: 35944068.
4.) Franziska Haag, Antonella Di Pizio, Dietmar Krautwurst, The key food odorant receptive range of broadly tuned receptor OR2W1. Food Chemistry 375 (2022) 131680
5.) 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