bacdanol
SMILES:
CCC(=CCC1CC=C(C1(C)C)C)CO
Aroma Description:
woody, sandalwood, greasy, oily, waxy1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR10H1 | -5.15 3 | 10 3 | greasy, sandalwood | |
| OR2AT4 | -4.7 2 | 0.25 2 | sandalwood, greasy | |
| OR52B4 | - | 1.9231 4 | cork_taint, greasy, sandalwood, buttery | |
| OR5I1 | - | 0 4 | ||
| OR9Q2 | - | 0 5 | Y |
bacdanol
SMILES:
CCC(=CCC1CC=C(C1(C)C)C)CO
Aroma Description:
woody, sandalwood, greasy, oily, 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.) 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.
3.) Weber, Lea et al. “Characterization of the Olfactory Receptor OR10H1 in Human Urinary Bladder Cancer.” Frontiers in physiology vol. 9 456. 16 May. 2018, doi:10.3389/fphys.2018.00456
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.) Keiichi Yoshikawa, Naoko Saito, Aya Namba, Ichiro Mori (2017) Urine odor suppressor WO2017090518A1