SMILES:
CC(=CCC\C(=C\CCC(C)(C=C)O)\C)C
Aroma Description:
floral, green, waxy, citrus, woody, fruity, melon1
| Receptor | Expression | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|---|
| OR1A2 | 19 | - | 9 5 | citrus, waxy, aldehydic, orange, fresh, orange_peel, tart, rose, sweet, floral | |
| OR1A1 | 73 | - | 7 5 | sweet, citrus, fresh, rose, herbal, waxy, orange, spearmint, floral, aldehydic | |
| OR2B3 | 42 | -4 2 | - | carnation, corn, malty, clove, sweet, pungent, hazelnut, vinegar | |
| OR2M4 | 96 | -4 2 | - | fennel, naphthyl, anise, narcissus, sweet | |
| OR9Q2 | 100 | - | 0 4 | Y | |
| OR2W1 | 53 | - | -0.6504 3 | ||
| OR5P3 | 100 | - | -0.6504 3 |
SMILES:
CC(=CCC\C(=C\CCC(C)(C=C)O)\C)C
Aroma Description:
floral, green, waxy, citrus, woody, fruity, melon
| Receptor | Expr.% | Agonist? | Dock Score | Known agonist | Correlated Perceptual Qualities |
|---|
Dock Score is a measure of how strongly the algorithm thinks the odorant is likely to be an agonist of the receptor.
Receptors in italics are "orphans", i.e. receptors whose agonists have not been identified experimentally.
1.) The Good Scents Company
2.) 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)
3.) Aya Kato, Naoko Saito (2015) Odor control agent. JP5798382B2
4.) Keiichi Yoshikawa, Naoko Saito, Aya Namba, Ichiro Mori (2017) Urine odor suppressor WO2017090518A1
5.) 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.