SMILES:
CC1C(=C(C(=O)O1)O)C
Aroma Description:
sweet, caramellic, maple, sugar, burnt_sugar, coffee, brown_sugar, cotton_candy1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR8D1 | -4.31 2, -2.53 3, -4.5 4, -6.4 6 | 7.068 2, 3.3333 3, 10 4, 10 6 | maple, sugar | |
| OR8D4 | - | 0.1667 3 | (insufficient data) | |
| OR10G3 | - | 0 3 | ||
| OR10G7 | - | 0 3 | ||
| OR10J5 | - | 0 3 | ||
| OR1A1 | - | 0 3 | ||
| OR2A25 | - | 0 3 | ||
| OR2B11 | - | 0 3 | ||
| OR2J3 | - | 0 3 | ||
| OR2W1 | - | 0 3 | ||
| OR51E1 | - | 0 3 | ||
| OR51L1 | - | 0 3 | ||
| OR56A4 | - | 0 3 | ||
| OR5K1 | - | 0 3 | ||
| OR8D2 | - | 0 3 | ||
| OR8K3 | - | 0 3 | ||
| OR7A5 | - | 0 5 |
SMILES:
CC1C(=C(C(=O)O1)O)C
Aroma Description:
sweet, caramellic, maple, sugar, burnt_sugar, coffee, brown_sugar, cotton_candy
| Receptor | Dock Score | Affinity | A100 | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR51E1 | 0 | 0 | (unknown) |
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.) Adipietro KA, Mainland JD, Matsunami H (2012) Functional Evolution of Mammalian Odorant Receptors. PLoS Genet 8(7): e1002821. doi:10.1371/ journal.pgen.1002821
4.) HAAG, Franziska, HOFFMANN, Sandra, et KRAUTWURST, Dietmar. Key Food Furanones Furaneol and Sotolone Specifically Activate Distinct Odorant Receptors. Journal of Agricultural and Food Chemistry, 2021, vol. 69, no 37, p. 10999-11005.
5.) Hartmann C, Triller A, Spehr M, Dittrich R, Hatt H, Buettner A. Sperm-Activating Odorous Substances in Human Follicular Fluid and Vaginal Secretion: Identification by Gas Chromatography–Olfactometry and Ca2 Imaging. Chempluschem 78: 695–702, 2013. doi:10.1002/cplu.201300008
6.) Aya NAMBA, Naoko Saito, Michiaki Inoue, Tsuyoshi TOYABE (2016) Inhibitor of odor caused by sotolone US9254248B2