SMILES:
CCCCCC1OC1\C=C\C=O
Aroma Description:
citrus, metallic, green, aldehydic1
Notes:
This is the main compound responsible for metallic and bloody odors. The human nose is more than 10x as sensitive to the (-)-enantiomer than to the (+)-enantiomer.2, 3, 4
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|
SMILES:
CCCCCC1OC1\C=C\C=O
Aroma Description:
citrus, metallic, green, aldehydic
| 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.) Leffingwell
3.) Colleen Lawless, Lauren E Simonitis, John A Finarelli, Graham M Hughes. Decoding Deception: The binding affinity of cuttlefish ink on shark smell receptors. G3 Genes|Genomes|Genetics, 2025;, jkaf001.
4.) McGee, Harold. Nose Dive: A Field Guide to the World's Smells. Penguin Publishing Group (2020). ISBN 9781984881878, 1984881876