anethole
SMILES:
C/C=C/C1=CC=C(C=C1)OC
Aroma Description:
sweet, anise, licorice, mimosa, medicinal, spicy1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR2W1 | -4.7 4, -4.034 5 | - | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
| OR6C70 | - | 10 2 | (insufficient data) | |
| OR1A1 | -4.7 4 | - | herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus | |
| OR1G1 | - | 6.0914 3 | waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise | |
| OR52D1 | - | 3.4518 3 | anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp |
anethole
SMILES:
C/C=C/C1=CC=C(C=C1)OC
Aroma Description:
sweet, anise, licorice, mimosa, medicinal, spicy
| Receptor | Dock Score | Affinity | A100 | Correlated Perceptual Qualities |
|---|
Dock Score: This is a measure of whether the algorithm thinks the odorant is an agonist of the receptor.
Affinity: The binding affinity, in kJ/mol, of the ligand docked in the active or inactive model, whichever is greater.
A100: A measure of the degree of activation of the receptor. See
Ibrahim et al (2019).
1.) The Good Scents Company
2.) Gisladottir, R. S., Ivarsdottir, E. V., Helgason, A., Jonsson, L., Hannesdottir, N. K., Rutsdottir, G., ... & Stefansson, K. (2020). Sequence variants in TAAR5 and other loci affect human odor perception and naming. Current Biology, 30(23), 4643-4653.
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.) 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
5.) Franziska Haag, Antonella Di Pizio, Dietmar Krautwurst, The key food odorant receptive range of broadly tuned receptor OR2W1. Food Chemistry 375 (2022) 131680