SMILES:
C1=CC=CC=C1C=O
Aroma Description:
sharp, sweet, bitter, almond, cherry1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR1G1 | - | 5.5838 2 | waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise | |
| OR52D1 | - | 3.0457 2 | anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp | |
| OR4K2 | - | 1.9231 3 | storax, animal, clove, cortex, malty, musk, natural, foliage, almond, powdery | |
| OR5I1 | - | 0 3 | ||
| OR1D5 | - | -2 4 |
SMILES:
C1=CC=CC=C1C=O
Aroma Description:
sharp, sweet, bitter, almond, cherry
| 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.) Guenhael Sanz, Claire Schlegel, Jean-Claude Pernollet and Loic Briand Comparison of Odorant Specificity of Two Human Olfactory Receptors from Different Phylogenetic Classes and Evidence for Antagonism Chemical Senses vol. 30 no. 1 (2005) doi:10.1093/chemse/bji002
3.) Ashti Baghaei, K. (2015). Large scale analysis of olfactory receptors with highly genetically variations in relation with specific anosmia (Doctoral dissertation, Bochum, Ruhr-Universität Bochum, Diss., 2013).
4.) Kyung Ho Kim, Jai Eun An, Myoungjoo Riu, Jin-Soo Son, Sung Eun Seo, Hongki Kim, Gyeong-Ji Kim, Soohyun Lee, Jin Yoo, Tae Shin Park, Yong Hwan Lee, Tai Hyun Park, Choong-Min Ryu, Oh Seok Kwon. Receptonics-based real-time monitoring of bacterial volatiles for onsite fire blight diagnosis. Sensors & Actuators: B. Chemical 419 (2024) 136337