SMILES:
CC=CC1=CC(=C(C=C1)OC)OC
Aroma Description:
spicy, clove, floral, carnation, woody1
SMILES:
CC=CC1=CC(=C(C=C1)OC)OC
Aroma Description:
spicy, clove, floral, carnation, woody
| 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.) Saito N, Yamano E, Ishii A, Tanaka M, Nakamura J, et al. (2018) Involvement of the olfactory system in the induction of anti-fatigue effects by odorants. PLOS ONE 13(3): e0195263. https://doi.org/10.1371/journal.pone.0195263
3.) Françoise, W., Philippeau, M., Veithen, A., Chatelain, P., & Quesnel, Y. (2016, May). Functional characterization of human olfactory receptors responding to pyrazine odorants. In CHEMICAL SENSES (Vol. 41, No. 4, pp. 433-434). GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND: OXFORD UNIV PRESS.