SMILES:
COC(=O)C=Cc1ccccc1
Aroma Description:
balsamic, cherry, strawberry, sweet1
| Receptor | Expression | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|---|
| OR2W1 | 53 | -5.38 2, -4.97 5 | - | sweet, tart, hay, fatty, coumarinic, orange, peony, cinnamon, herbal, tonka | |
| OR1D2 | 100 | -4.49 3 | - | rose, citrus, fresh, sweet, floral, waxy, fatty, bois_de_rose, peach, blueberry | |
| OR1A1 | 73 | - | 0 2 | ||
| OR5A1 | 100 | - | 0 4 | ||
| OR5A2 | 100 | - | 0 4 | ||
| OR5AN1 | 100 | - | 0 4 |
SMILES:
COC(=O)C=Cc1ccccc1
Aroma Description:
balsamic, cherry, strawberry, sweet
| 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.) Veithen, A.; Wilin, F.; Philippeau, M.; Chatelain, P. OR1D2 is a broadly tuned human olfactory receptor. Chem. Senses 2015, 40, 262–263.
4.) 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]
5.) Franziska Haag, Antonella Di Pizio, Dietmar Krautwurst, The key food odorant receptive range of broadly tuned receptor OR2W1. Food Chemistry 375 (2022) 131680