empetal
SMILES:
CC(=CCCC1=CCC(CC1)C=O)C
Aroma Description:
aldehydic, citrus, floral, greasy, marine1
empetal
SMILES:
CC(=CCCC1=CCC(CC1)C=O)C
Aroma Description:
aldehydic, citrus, floral, greasy, marine
| 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.) Veithen, A.; Wilin, F.; Philippeau, M.; Chatelain, P. OR1D2 is a broadly tuned human olfactory receptor. Chem. Senses 2015, 40, 262–263.
3.) Veitinger T, Riffell JR, Veitinger S, Nascimento JM, Triller A, Chandsawangbhuwana C, Schwane K, Geerts A, Wunder F, Berns MW, Neuhaus EM, Zimmer RK, Spehr M, Hatt H. Chemosensory Ca2+ dynamics correlate with diverse behavioral phenotypes in human sperm. J Biol Chem. 2011 May 13;286(19):17311-25. doi: 10.1074/jbc.M110.211524. Epub 2011 Mar 21. PMID: 21454470; PMCID: PMC3089573.
4.) Aya Kato, Naoko Saito (2015) Odor control agent. JP5798382B2