SMILES:
CCCC(=O)C
Aroma Description:
sweet, fruity, ethereal, winey, banana, woody, fermented1
SMILES:
CCCC(=O)C
Aroma Description:
sweet, fruity, ethereal, winey, banana, woody, fermented
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.) Saito H, Chi Q, Zhuang H, Matsunami H, Mainland JD. Odor coding by a Mammalian receptor repertoire. Sci Signal. 2009 Mar 3;2(60):ra9. doi: 10.1126/scisignal.2000016. PMID: 19261596; PMCID: PMC2774247.
3.) Morrell CN, Mix D, Aggarwal A, Bhandari R, Godwin M, Owens P 3rd, Lyden SP, Doyle A, Krauel K, Rondina MT, Mohan A, Lowenstein CJ, Shim S, Stauffer S, Josyula VP, Ture SK, Yule DI, Wagner LE 3rd, Ashton JM, Elbadawi A, Cameron SJ. Platelet olfactory receptor activation limits platelet reactivity and growth of aortic aneurysms. J Clin Invest. 2022 May 2;132(9):e152373. doi: 10.1172/JCI152373. PMID: 35324479; PMCID: PMC9057618.