SMILES:
CC1=CCC(CC1)C(C)(C)OC(=O)C
Aroma Description:
bergamot, citrus, herbal, lavender, lime1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR2T10 | -4.8 4 | 7.7 4 | berry, bergamot, cotton_candy, strawberry, lavender, lime, candy, caramellic, chocolate | |
| OR7D4 | - | 0.2 3 | animal | |
| OR10G3 | - | 0 2 | ||
| OR10G7 | - | 0 2 | ||
| OR10J5 | - | 0 2 | ||
| OR11A1 | - | 0 2 | ||
| OR1C1 | - | 0 2 | ||
| OR2A25 | - | 0 2 | ||
| OR2J2 | - | 0 2 | ||
| OR2J3 | - | 0 2 | ||
| OR2W1 | - | 0 2 | ||
| OR51E1 | - | 0 2 | ||
| OR51L1 | - | 0 2 | ||
| OR56A4 | - | 0 2 | ||
| OR5K1 | - | 0 2 | ||
| OR8K3 | - | 0 2 | ||
| OR8D1 | - | -0.0283 2 | ||
| OR2B11 | - | -0.6667 2 | ||
| OR1A1 | - | -1.2 2 | ||
| OR5P3 | - | -2.2333 2 |
SMILES:
CC1=CCC(CC1)C(C)(C)OC(=O)C
Aroma Description:
bergamot, citrus, herbal, lavender, lime
| 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.) Adipietro KA, Mainland JD, Matsunami H (2012) Functional Evolution of Mammalian Odorant Receptors. PLoS Genet 8(7): e1002821. doi:10.1371/ journal.pgen.1002821
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.) D. Gonzalez-Kristeller, J.B.P. do Nascimento, P.A.F. Galante, B. Malnic, Identification of agonists for a group of human odorant receptors, Front. Pharmacol. 6 (2015)