SMILES:
CCCCCCCCC/C=C/C=O
Aroma Description:
aldehydic, citrus, mandarin, metallic, orange, waxy1
pungent2
soapy3
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|
SMILES:
CCCCCCCCC/C=C/C=O
Aroma Description:
aldehydic, citrus, mandarin, metallic, orange, waxypungentsoapy
| 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.) Eyres G, Dufour JP, Hallifax G, Sotheeswaran S, Marriott PJ: Identification of character-impact odorants in coriander and wild coriander leaves using gas chromatography-olfactometry (GCO) and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC x GC-TOFMS). J Sep Sci. 2005, 28 (9-10): 1061-1074. 10.1002/jssc.200500012.
3.) Cadwallader K, Benitez D, Pojjanapimol S, Suriyaphan O, Singh T: Characteristic aroma components of the cilantro mimics. Natural Flavors and Fragrances. Volume 908. Edited by: Frey C, Rouseff RL. 2005, Washington: American Chemical Society, 117-128.