SMILES:
CC1([C@@H]2CC[C@]1([C@@]3(C2)(O))C)C.C3
Aroma Description:
earthy, musty1
SMILES:
CC1([C@@H]2CC[C@]1([C@@]3(C2)(O))C)C.C3
Aroma Description:
earthy, musty
| 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.) Son, M., D. G. Cho, J. H. Lim, J. Park, S. Hong, H. J. Ko, and Park, T. H. (2015) Real-time monitoring of geosmin and 2- methylisoborneol, representative odor compounds in water pollution using bioelectronic nose with human-like performance, Biosens. Bioelectron., 74: 199–206.
3.) Aya Kato, Naoko Saito (2017) Search method for mold odor inhibitor JP6104058B2