SMILES:
C1CCCCCC(=O)OCCOC(=O)CCCCC1
Aroma Description:
ambrette, floral, musk, powdery, sweet, woody1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR5AN1 | -0.95 6 | 0.16 4, 1.5 5, 6.4286 6 | musk, animal, powdery | |
| OR5L1 | -2.66 2 | 0.2304 2 | currant, plum, ambrette, honey | |
| OR4N4 | -2.41 2 | 0.3598 2 | (insufficient data) | |
| OR5A2 | - | 2.5 5 | musk, animal | |
| OR51Q1 | -1.75 2 | 0.2004 2 | dairy, milky, lactonic, peach, coconut, ambrette, creamy | |
| OR2J3 | - | 0.4 4 | passionfruit, foliage, blackcurrant, currant, grassy, juicy, tart, warm, soapy, cinnamon | |
| OR7D4 | - | 0.2 3 | animal | |
| OR1A1 | - | 0 4 | ||
| OR5A1 | - | 0 5 |
SMILES:
C1CCCCCC(=O)OCCOC(=O)CCCCC1
Aroma Description:
ambrette, floral, musk, powdery, sweet, woody
| 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.) Mainland JD, Li YR, Zhou T, Liu WL, Matsunami H. Human olfactory receptor responses to odorants. Sci Data. 2015 Feb 3;2:150002. doi: 10.1038/sdata.2015.2. PMID: 25977809; PMCID: PMC4412152.
3.) Keller A, Zhuang H, Chi Q, Vosshall LB, Matsunami H. Genetic variation in a human odorant receptor alters odour perception. Nature. 2007 Sep 27;449(7161):468-72. doi: 10.1038/nature06162. Epub 2007 Sep 16. PMID: 17873857.
4.) 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
5.) 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]
6.) Omura M, Takabatake Y, Lempert E, Benjamin-Hong S, D'Hulst C, Feinstein P. A genetic platform for functionally profiling odorant receptors in olfactory cilia ex vivo. Sci Signal. 2022 Aug 9;15(746):eabm6112. doi: 10.1126/scisignal.abm6112. Epub 2022 Aug 9. PMID: 35944068.