SMILES:
O[C@]12[C@H](CCC[C@]2(CCCC1)C)C
Aroma Description:
earthy, fresh, musty, soil1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR11A1 | -6 4, -4.5533 5 | 10 4, 10 5 | rooty, tea, patchouli, musty, potato, earthy, camphoraceous | |
| OR51S1 | - | 3.75 3 | dairy, milky, lactonic, peach, fresh, coconut, creamy, musty | |
| OR52B4 | - | 1.9231 2 | cork_taint, greasy, sandalwood, buttery | |
| OR5I1 | - | 0 2 |
SMILES:
O[C@]12[C@H](CCC[C@]2(CCCC1)C)C
Aroma Description:
earthy, fresh, musty, soil
| 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.) Ashti Baghaei, K. (2015). Large scale analysis of olfactory receptors with highly genetically variations in relation with specific anosmia (Doctoral dissertation, Bochum, Ruhr-Universität Bochum, Diss., 2013).
3.) Son, M., D. G. Cho, J. H. Lim, J. Park, S. Hong, H. J. Ko, and Park, T. H. (2015) Real-time monitoring of geosmin and 2- methylisoborneol, representative odor compounds in water pollution using bioelectronic nose with human-like performance, Biosens. Bioelectron., 74: 199–206.
4.) Aya Kato, Naoko Saito (2017) Search method for mold odor inhibitor JP6104058B2
5.) Lena Ball, Tim Frey, Franziska Haag, Stephanie Frank, Sandra Hoffmann, Matthias Laska, Martin Steinhaus, Klaus Neuhaus, and Dietmar Krautwurst Geosmin, a Food- and Water-Deteriorating Sesquiterpenoid and Ambivalent Semiochemical, Activates Evolutionary Conserved Receptor OR11A1 Journal of Agricultural and Food Chemistry Article ASAP