SMILES:
O=C(CCc1ccc(O)cc1)C
Aroma Description:
berry, floral, jammy, raspberry, ripe, seedy, sweet, woody1
SMILES:
O=C(CCc1ccc(O)cc1)C
Aroma Description:
berry, floral, jammy, raspberry, ripe, seedy, 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.) Pierre Chatelain, Alex Veithen, Francoise Wilkin, and Magali Philippeau Deorphanization and Characterization of Human Olfactory Receptors in Heterologous Cells Chem Biodivers. 2014 Nov;11(11):1764-81. doi: 10.1002/cbdv.201400083. PMID: 25408322.
3.) D. Busse, P. Kudella, N.-M. Gruning, G. Gisselmann, S. Stander, T. Luger, F. Jacobsen, L. Steinstraser, R. Paus, P. Gkogkolou et al, A Synthetic Sandalwood Odorant Induces Wound-Healing Processes in Human Keratinocytes via the Olfactory Receptor OR2AT4, J. Invest. Dermatol. 134 (2014) 2823-2832.
4.) Jacquier V, Pick H, Vogel H. Characterization of an extended receptive ligand repertoire of the human olfactory receptor OR17-40 comprising structurally related compounds. J Neurochem. 2006 Apr;97(2):537-44. doi: 10.1111/j.1471-4159.2006.03771.x. Epub 2006 Mar 15. PMID: 16539658.
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]