SMILES:
CC1=CCC(C1(C)C)CCC(C)CO
Aroma Description:
sandalwood, waxy, woody, herbal, nutty1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR2AT4 | -4.3 2 | 5 2 | sandalwood, greasy |
SMILES:
CC1=CCC(C1(C)C)CCC(C)CO
Aroma Description:
sandalwood, waxy, woody, herbal, nutty
| Receptor | Agonist? | Dock Score | Pose1 | LSRB - LSP | 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.
LSP: Ligand Surface Polarity, i.e. how much of the ligand's surface is hydrophilic.
LSRB: Ligand Surface Receptor Binding, i.e. how much of the ligand's surface interacts with receptor atoms.
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.