nonisyl acetate, 3,5,5-trimethylhexyl acetate
SMILES:
CC(CCOC(=O)C)CC(C)(C)C
Aroma Description:
sweet, orris, cumin, woody, fruity, spicy1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|
nonisyl acetate, 3,5,5-trimethylhexyl acetate
SMILES:
CC(CCOC(=O)C)CC(C)(C)C
Aroma Description:
sweet, orris, cumin, woody, fruity, spicy
| 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).