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 | 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.) 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.