SMILES:
CC1=CC[C@H](C[C@H]1O)C(=C)C
Aroma Description:
minty, spearmint, cooling, green, herbal, caraway, spicy, weedy, plastic, earthy, mahogany1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR1A1 | -5.79 2 | - | herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus | |
| OR1A2 | -5.78 2 | - | citrus, orange_peel, aldehydic, melon, waxy, ozone, orange, lime | |
| VN1R5 | - | 9 3 | tart, orange_peel, aldehydic, spearmint, caraway, waxy, citrus, blueberry, rose, orange | |
| VN1R3 | - | 7.7 3 | orange_peel, aldehydic | |
| VN1R1 | - | 2 3 | grapefruit, lemon, lactonic, natural, jasmine, tropical, oily |
SMILES:
CC1=CC[C@H](C[C@H]1O)C(=C)C
Aroma Description:
minty, spearmint, cooling, green, herbal, caraway, spicy, weedy, plastic, earthy, mahogany
| 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.) Schmiedeberg K, Shirokova E, Weber HP, Schilling B, Meyerhof W, Krautwurst D. Structural determinants of odorant recognition by the human olfactory receptors OR1A1 and OR1A2. J Struct Biol. 2007 Sep;159(3):400-12. doi: 10.1016/j.jsb.2007.04.013. Epub 2007 May 25. PMID: 17601748.
3.) Krautwurst D. Human olfactory receptor families and their odorants. Chem Biodivers. 2008 Jun;5(6):842-52. doi: 10.1002/cbdv.200890099. PMID: 18618407.