SMILES:
CC/C=C\CCOC(=O)CCCCC
Aroma Description:
fruity, green, waxy, pear, winey, tropical, grassy, pineapple1
SMILES:
CC/C=C\CCOC(=O)CCCCC
Aroma Description:
fruity, green, waxy, pear, winey, tropical, grassy, pineapple
| 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.) Keiichi Yoshikawa, Jun Deguchi, Hu Jieying et al. Diverse yet selective tuning of an odorant receptor for sensing four classes of musk compounds, 03 August 2022, PREPRINT (Version 1) available at Research Square [https://doi.org/10.21203/rs.3.rs-1916850/v1]
3.) Masato Murai, Ikuo Terada (2022) Method for screening of unpleasant odor masking agents US20220034866A1