dodecanoic acid
SMILES:
CCCCCCCCCCCC(=O)[O-]
Aroma Description:
bay, coconut, fatty1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR51B5 | -5.12 2 | 3.5714 2 | weedy, hay, grassy, leafy, cooling, berry, camphoraceous, melon | |
| OR2A7 | -4.82 2 | 3.3571 2 | pine, resinous, cumin, watery | |
| OR1G1 | - | 1.269 3 | waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise | |
| OR52D1 | - | 0.0761 3 | anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp | |
| OR51E1 | - | 0 4 |
dodecanoic acid
SMILES:
CCCCCCCCCCCC(=O)[O-]
Aroma Description:
bay, coconut, fatty
| 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.) Emily A. Yasi, Sara L. Eisen, Hanfei Wang, Widianti Sugianto, Anita R. Minniefield, Kaitlyn A. Hoover, Paul J. Branham, and Pamela Peralta-Yahya Rapid Deorphanization of Human Olfactory Receptors in Yeast Biochemistry 2019, 58, 2160-2166
3.) Guenhael Sanz, Claire Schlegel, Jean-Claude Pernollet and Loic Briand Comparison of Odorant Specificity of Two Human Olfactory Receptors from Different Phylogenetic Classes and Evidence for Antagonism Chemical Senses vol. 30 no. 1 (2005) doi:10.1093/chemse/bji002
4.) YOSHIFUMI FUJITA, TOMOKO TAKAHASHI, AKIKO SUZUKI, KAYO KAWASHIMA, FUTOSHI NARA & RYUTA KOISHI (2007) Deorphanization of Dresden G Protein-Coupled Receptor for an Odorant Receptor, Journal of Receptors and Signal Transduction, 27:4, 323-334, DOI: 10.1080/10799890701534180