SMILES:
C1CCC\C=C\CCCCCCC(=O)CCC1
Aroma Description:
animal, balsamic, cloth, dry, floral, laundered, musk, tobacco, waxy1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR5AN1 | - | 4.8 2, 7 3 | musk, animal, powdery | |
| OR5A2 | - | 2 3 | musk, animal | |
| OR4K2 | - | 0.4808 4 | storax, animal, clove, cortex, malty, musk, natural, foliage, almond, powdery | |
| OR1A1 | - | 0 2 | ||
| OR2J3 | - | 0 2 | ||
| OR5A1 | - | 0 3 | ||
| OR4P4 | - | 0 4 | ||
| OR5I1 | - | 0 4 | ||
| OR5P3 | - | -0.1626 5 | ||
| OR2W1 | - | -0.6504 5 |
SMILES:
C1CCC\C=C\CCCCCCC(=O)CCC1
Aroma Description:
animal, balsamic, cloth, dry, floral, laundered, musk, tobacco, waxy
| 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.) Ligand Specificity and Evolution of Mammalian Musk Odor Receptors: Effect of Single Receptor Deletion on Odor Detection Narumi Sato-Akuhara, Nao Horio, Aya Kato-Namba, Keiichi Yoshikawa, Yoshihito Niimura, Sayoko Ihara, Mika Shirasu, Kazushige Touhara Journal of Neuroscience 20 April 2016, 36 (16) 4482-4491; DOI: 10.1523/JNEUROSCI.3259-15.2016
3.) Keiichi Yoshikawa, Jun Deguchi, Hu Jieying et al. Diverse yet selective tuning of an odorant receptor for sensing four classes of musk compounds, 03 August 2022, PREPRINT (Version 1) available at Research Square [https://doi.org/10.21203/rs.3.rs-1916850/v1]
4.) 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).
5.) Aya Kato, Naoko Saito (2015) Odor control agent. JP5798382B2