SMILES:
COC1=C(C=CC(=C1)C(=O)[O-])O
Aroma Description:
beany, brown, creamy, dairy, milky, phenolic, powdery, sweet, vanilla1
SMILES:
COC1=C(C=CC(=C1)C(=O)[O-])O
Aroma Description:
beany, brown, creamy, dairy, milky, phenolic, powdery, sweet, vanilla
Receptor | Dock Score | Affinity | A100 | Correlated Perceptual Qualities |
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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).