SMILES:
CCCC(=O)OCCCC
Aroma Description:
fruity, banana, pineapple, green, cherry, tropical_fruit, ripe_fruit, juicy_fruit, sweet, fresh, ripe1
SMILES:
CCCC(=O)OCCCC
Aroma Description:
fruity, banana, pineapple, green, cherry, tropical_fruit, ripe_fruit, juicy_fruit, sweet, fresh, ripe
| 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
2.) Guenhael Sanz, Claire Schlegel, Jean-Claude Pernollet and Loic Briand Comparison of Odorant Specificity of Two Human Olfactory Receptors from Different Phylogenetic Classes and Evidence for Antagonism Chemical Senses vol. 30 no. 1 (2005) doi:10.1093/chemse/bji002
3.) Kwon, O. S., Song, H. S., Park, S. J., Lee, S. H., An, J. H., Park, J. W., Yang, H. H., Yoon, H., Bae, J., Park, T. H. and Jang, J. (2015), An Ultrasensitive, Selective, Multiplexed Superbioelectronic Nose That Mimics the Human Sense of Smell, Nano Lett., 15: 6559-6567.