☰
 

SMILES:
CCCC(=O)SC

Aroma Description:
cabbage, cheesy, eggy, fruit, garlic, metallic, musty, sulfurous, tomato1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR1G1 - 10 2  waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise
OR52D1 - 3.5025 2  anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp
 

SMILES:
CCCC(=O)SC

Aroma Description:
cabbage, cheesy, eggy, fruit, garlic, metallic, musty, sulfurous, tomato

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.) 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