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4-isopropylbenzaldehyde

SMILES:
CC(C)c1ccc(C=O)cc1

Aroma Description:
spicy, cumin, green, herbal1

Receptor Expression log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR2W1 53 -4.509 3 -  sweet, tart, hay, fatty, coumarinic, orange, peony, cinnamon, herbal, tonka
OR51I2 100 - -0.9091 2   
 

4-isopropylbenzaldehyde

SMILES:
CC(C)c1ccc(C=O)cc1

Aroma Description:
spicy, cumin, green, herbal

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.) Aya Kato, Naoko Saito, Etsuji Wakisaka (2016) Method for searching for malodor control agent, malodor control agent, and malodor control method. US9526680B2

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