SMILES:
C=CCC1=CC2=C(C=C1)OCO2
Aroma Description:
anise, floral, sassafrass, spicy, sweet, warm, woody1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR1G1 | - | 7.3604 2 | waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise | |
| OR52D1 | - | 3.0964 2 | anise, cheesy, orange, rancid, sweet, dairy, sour, waxy, tart, sharp | |
| OR3A1 | - | 0 3, 0 4, 2.9 5, 0 6 | cork_taint | |
| OR2AG1 | - | 0 6 |
SMILES:
C=CCC1=CC2=C(C=C1)OCO2
Aroma Description:
anise, floral, sassafrass, spicy, sweet, warm, woody
| 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.) Guenhael Sanz, Claire Schlegel, Jean-Claude Pernollet and Loic Briand Comparison of Odorant Specificity of Two Human Olfactory Receptors from Different Phylogenetic Classes and Evidence for Antagonism Chemical Senses vol. 30 no. 1 (2005) doi:10.1093/chemse/bji002
3.) 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
4.) 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.
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6.) 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.