SMILES:
C1OC2=C(O1)C=C(C=C2)C=O
Aroma Description:
maraschino_cherry, bitter_almond, cherry, tropical, custard, vanilla, spicy, sweet, creamy, cinnamyl1
SMILES:
C1OC2=C(O1)C=C(C=C2)C=O
Aroma Description:
maraschino_cherry, bitter_almond, cherry, tropical, custard, vanilla, spicy, sweet, creamy, cinnamyl
| Receptor | Dock Score | Affinity | A100 | 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.
A100: A measure of the degree of activation of the receptor. See
Ibrahim et al (2019).
1.) The Good Scents Company
2.) Christian H. Wetzel, Markus Oles, Christiane Wellerdieck, Michael Kuczkowiak, Günter Gisselmann, Hanns Hatt Specificity and Sensitivity of a Human Olfactory Receptor Functionally Expressed in Human Embryonic Kidney 293 Cells andXenopus Laevis Oocytes Journal of Neuroscience 1 September 1999, 19 (17) 7426-7433; DOI: 10.1523/JNEUROSCI.19-17-07426.1999
3.) Jacquier V, Pick H, Vogel H. Characterization of an extended receptive ligand repertoire of the human olfactory receptor OR17-40 comprising structurally related compounds. J Neurochem. 2006 Apr;97(2):537-44. doi: 10.1111/j.1471-4159.2006.03771.x. Epub 2006 Mar 15. PMID: 16539658.
4.) Lee, S. H., Kwon, O. S., Song, H. S., Park, S. J., Sung, J. H., Jang, J. and Park, T. H. (2012), Mimicking the human smell sensing mechanism with an artificial nose platform, Biomaterials, 33: 1722- 1729.
5.) 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.
6.) Franziska Haag, Antonella Di Pizio, Dietmar Krautwurst, The key food odorant receptive range of broadly tuned receptor OR2W1. Food Chemistry 375 (2022) 131680