SMILES:
CSSC
Aroma Description:
sulfurous, vegetable, cabbage, onion, malty, creamy1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR52D1 | - | 1.9289 2 | anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp | |
| OR51E1 | - | 0.4333 3 | cheesy, sweaty, sour, acidic | |
| OR1G1 | - | 0.4061 2 | waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise | |
| OR10G3 | - | 0 3 | ||
| OR10G7 | - | 0 3 | ||
| OR10J5 | - | 0 3 | ||
| OR1C1 | - | 0 3 | ||
| OR2A25 | - | 0 3 | ||
| OR2B11 | - | 0 3 | ||
| OR2J2 | - | 0 3 | ||
| OR2J3 | - | 0 3 | ||
| OR2W1 | - | 0 3 | ||
| OR51L1 | - | 0 3 | ||
| OR56A4 | - | 0 3 | ||
| OR5K1 | - | 0 3 | ||
| OR8K3 | - | 0 3 | ||
| OR2M3 | - | 0 4 | ||
| OR1D5 | - | 0 5 | ||
| OR8D1 | - | -0.02 3 | ||
| OR11A1 | - | -0.6667 3 | ||
| OR1A1 | - | -1.1667 3 | ||
| OR5P3 | - | -2.6333 3 |
SMILES:
CSSC
Aroma Description:
sulfurous, vegetable, cabbage, onion, malty, creamy
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.) Adipietro KA, Mainland JD, Matsunami H (2012) Functional Evolution of Mammalian Odorant Receptors. PLoS Genet 8(7): e1002821. doi:10.1371/ journal.pgen.1002821
4.) Franziska Noe, Johannes Polster, Christiane Geithe, Matthias Kotthoff, Peter Schieberle, and Dietmar Krautwurst OR2M3: A Highly Specific and Narrowly Tuned Human Odorant Receptor for the Sensitive Detection of Onion Key Food Odorant 3-Mercapto-2-methylpentan-1-ol Chemical Senses, 2017, Vol 42, 195–210 doi:10.1093/chemse/bjw118
5.) 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