SMILES:
C1OC2=C(O1)C=C(C=C2)C=O
Aroma Description:
maraschino_cherry, bitter_almond, cherry, tropical, custard, vanilla, spicy, sweet, creamy, cinnamyl1
SMILES:
C1OC2=C(O1)C=C(C=C2)C=O
Aroma Description:
maraschino_cherry, bitter_almond, cherry, tropical, custard, vanilla, spicy, sweet, creamy, cinnamyl
| Receptor | Agonist? | Dock Score | Pose1 | LSRB - LSP | 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.
LSP: Ligand Surface Polarity, i.e. how much of the ligand's surface is hydrophilic.
LSRB: Ligand Surface Receptor Binding, i.e. how much of the ligand's surface interacts with receptor atoms.
1.) The Good Scents Company
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