SMILES:
O=C(C=C)CCCCC
Aroma Description:
earthy, metallic, mushroom1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR2W1 | -4.902 5 | - | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
| OR1A2 | - | 4 4 | citrus, orange_peel, aldehydic, melon, waxy, ozone, orange, lime | |
| OR1A1 | - | 3 4 | herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus | |
| OR52B4 | - | 1.9231 3 | cork_taint, greasy, sandalwood, buttery | |
| OR4D1 | - | 0 2 | ||
| OR7A5 | - | 0 2 | ||
| OR5I1 | - | 0 3 |
SMILES:
O=C(C=C)CCCCC
Aroma Description:
earthy, metallic, mushroom
| 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.) 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
3.) Ashti Baghaei, K. (2015). Large scale analysis of olfactory receptors with highly genetically variations in relation with specific anosmia (Doctoral dissertation, Bochum, Ruhr-Universität Bochum, Diss., 2013).
4.) 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.
5.) Franziska Haag, Antonella Di Pizio, Dietmar Krautwurst, The key food odorant receptive range of broadly tuned receptor OR2W1. Food Chemistry 375 (2022) 131680