SMILES:
CC1=CCC(CC1)C(C)(C)O
Aroma Description:
pine, terpenic, lilac, citrus, woody, floral, resinous, cooling, lemon, lime1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR2L3 | -3.2 5 | 10 5 | resinous, acacia, lime, pine, lemon, hawthorn, peppery, cooling | |
| OR2W1 | -3.45 6 | - | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
| OR6F1 | -2.9 2 | 0.1531 2 | (insufficient data) | |
| OR7D4 | - | 0.2 3 | animal | |
| OR51B4 | - | 0 4 |
SMILES:
CC1=CCC(CC1)C(C)(C)O
Aroma Description:
pine, terpenic, lilac, citrus, woody, floral, resinous, cooling, lemon, lime
| 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.) Mainland JD, Li YR, Zhou T, Liu WL, Matsunami H. Human olfactory receptor responses to odorants. Sci Data. 2015 Feb 3;2:150002. doi: 10.1038/sdata.2015.2. PMID: 25977809; PMCID: PMC4412152.
3.) Keller A, Zhuang H, Chi Q, Vosshall LB, Matsunami H. Genetic variation in a human odorant receptor alters odour perception. Nature. 2007 Sep 27;449(7161):468-72. doi: 10.1038/nature06162. Epub 2007 Sep 16. PMID: 17873857.
4.) Weber, Lea et al. “Activation of odorant receptor in colorectal cancer cells leads to inhibition of cell proliferation and apoptosis.” PloS one vol. 12,3 e0172491. 8 Mar. 2017, doi:10.1371/journal.pone.0172491
5.) Masato Murai, Ikuo Terada (2022) Method for screening of unpleasant odor masking agents US20220034866A1
6.) Franziska Haag, Antonella Di Pizio, Dietmar Krautwurst, The key food odorant receptive range of broadly tuned receptor OR2W1. Food Chemistry 375 (2022) 131680