SMILES:
C[C@H]1C(=C(C(=O)O1)O)C
Aroma Description:
sweet, milky, acidic, nutty1
SMILES:
C[C@H]1C(=C(C(=O)O1)O)C
Aroma Description:
sweet, milky, acidic, nutty
| 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.) Juan Wang, Danqing Wang, Mingquan Huang, Baoguo Sun, Fazheng Ren, Jihong Wu, Jinglin Zhang, Hehe Li, and Xiaotao Sun Decoding Molecular Mechanism Underlying Human Olfactory Receptor OR8D1 Activation by Sotolone Enantiomers Journal of Agricultural and Food Chemistry Article ASAP DOI: 10.1021/acs.jafc.3c09142
2.) Juan Wang, Danqing Wang, Mingquan Huang, Baoguo Sun, Fazheng Ren, Jihong Wu, Jinglin Zhang, Hehe Li, and Xiaotao Sun Decoding Molecular Mechanism Underlying Human Olfactory Receptor OR8D1 Activation by Sotolone Enantiomers Journal of Agricultural and Food Chemistry Article ASAP DOI: 10.1021/acs.jafc.3c09142