SMILES:
CC(=O)OCCCCCC
Aroma Description:
apple, banana, fruity, green, sweet1
| Receptor | Expression | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|---|
| OR2W1 | 53 | -4.86 2, -4.32 3, -3.943 4 | 9 2 | sweet, tart, hay, fatty, coumarinic, orange, peony, cinnamon, herbal, tonka | |
| OR10J5 | 84 | - | 0 2 | ||
| OR1A1 | 73 | - | 0 2, 0 3 | ||
| OR2C1 | 100 | - | 0 2 | ||
| OR2J2 | 92 | - | 0 2 | ||
| OR51E1 | 100 | - | 0 2 | ||
| OR51L1 | 88 | - | 0 2 | ||
| OR5P3 | 100 | - | 0 2 |
SMILES:
CC(=O)OCCCCCC
Aroma Description:
apple, banana, fruity, green, 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.) 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.
3.) 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
4.) Franziska Haag, Antonella Di Pizio, Dietmar Krautwurst, The key food odorant receptive range of broadly tuned receptor OR2W1. Food Chemistry 375 (2022) 131680