SMILES:
CC(=O)OCCC1=CC=CC=C1
Aroma Description:
floral, fruity, honey, rose, sweet, tropical1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR2W1 | -5.1 3, -5.82 6 | 1.9444 6 | sweet, herbal, tart, fatty, orange, passionfruit, fresh, mimosa, rancid, mushroom | |
| OR10A6 | -5.46 6 | 10 6 | floral, cinnamyl, honey, rhubarb, neroli, hyacinth, cyclamen, balsamic, cinnamon, dirty | |
| OR1A1 | -4.56 3 | - | passionfruit, herbal, orange, caraway, weedy, hay, spearmint, licorice, plastic, mushroom | |
| OR2AG1 | - | 7.9787 2 | galbanum, green_pea, honey, heliotrope, banana, bell_pepper, solvent | |
| OR1D2 | -3.91 4 | - | rose, peach, bois_de_rose, citrus, floral, fresh, lactonic, coconut, lime, waxy | |
| OR5A1 | - | 0 5 | ||
| OR5A2 | - | 0 5 | ||
| OR5AN1 | - | 0 5 |
SMILES:
CC(=O)OCCC1=CC=CC=C1
Aroma Description:
floral, fruity, honey, rose, sweet, tropical
| Receptor | Docking Score | Correlated Perceptual Qualities |
|---|
1.) The Good Scents Company
2.) Gelis L, Wolf S, Hatt H, Neuhaus EM, Gerwert K. Prediction of a ligand-binding niche within a human olfactory receptor by combining site-directed mutagenesis with dynamic homology modeling. Angew Chem Int Ed Engl. 2012 Jan 27;51(5):1274-8. doi: 10.1002/anie.201103980. Epub 2011 Dec 5. PMID: 22144177.
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
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