SMILES:
CC1=C(C(=O)C=CO1)OC(=O)C(C)C
Aroma Description:
berry, caramellic, cotton_candy, fruity, strawberry, sweet, tropical1
Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
---|---|---|---|---|
OR2T10 | -5.6 2 | 9.5 2 | berry, bergamot, cotton_candy, strawberry, lavender, lime, candy, caramellic, chocolate | |
OR5AC2 | -5.8 2 | 7 2 | berry, cotton_candy, apple, strawberry, plum, chocolate, tropical, fruity, sweet, carnation | |
OR2G2 | -5.8 2 | 4 2 | berry, candy, cotton_candy, strawberry, chocolate, warm, vanilla, cinnamon | |
OR1G1 | -5.7 2 | 3.5 2 | waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise |
SMILES:
CC1=C(C(=O)C=CO1)OC(=O)C(C)C
Aroma Description:
berry, caramellic, cotton_candy, fruity, strawberry, sweet, tropical
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).