SMILES:
CC(C)C1=CC(=CC=C1)C(C)CC=O
Aroma Description:
floral, green, muguet, linden_flower, lily_of_the_valley, fresh1
SMILES:
CC(C)C1=CC(=CC=C1)C(C)CC=O
Aroma Description:
floral, green, muguet, linden_flower, lily_of_the_valley, fresh
| 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).