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4-methoxy-2-methyl-2-butanethiol

SMILES:
COCCC(S)(C)C

Aroma Description:
catty, blackcurrant1

Receptor Expression log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR2W1 53 -2.971 1 -  sweet, tart, hay, fatty, coumarinic, orange, peony, cinnamon, herbal, tonka
OR2T11 96 - 2.7 3  sulfurous, alliaceous, garlic, onion, eggy, green_onion, cabbage, meaty
OR2M3 100 - 0 2   
 

4-methoxy-2-methyl-2-butanethiol

SMILES:
COCCC(S)(C)C

Aroma Description:
catty, blackcurrant

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.) Franziska Haag, Antonella Di Pizio, Dietmar Krautwurst, The key food odorant receptive range of broadly tuned receptor OR2W1. Food Chemistry 375 (2022) 131680

2.) Franziska Noe, Johannes Polster, Christiane Geithe, Matthias Kotthoff, Peter Schieberle, and Dietmar Krautwurst OR2M3: A Highly Specific and Narrowly Tuned Human Odorant Receptor for the Sensitive Detection of Onion Key Food Odorant 3-Mercapto-2-methylpentan-1-ol Chemical Senses, 2017, Vol 42, 195–210 doi:10.1093/chemse/bjw118

3.) Roger EmterAndreas Natsch Modified olfactory receptors WO2024126820A1
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Code version:
 

Docker used:
 

Files:
Active model: text 3D download
Inactive model: text 3D download
Active dock: text 3D download
Inactive dock: text 3D download
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