SMILES:
O=C1C(O)=C(OC1C)C
Aroma Description:
sweet, cotton_candy, caramellic, strawberry, brown_sugar1
caramellic2
SMILES:
O=C1C(O)=C(OC1C)C
Aroma Description:
sweet, cotton_candy, caramellic, strawberry, brown_sugarcaramellic
| 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.) HAAG, Franziska, HOFFMANN, Sandra, et KRAUTWURST, Dietmar. Key Food Furanones Furaneol and Sotolone Specifically Activate Distinct Odorant Receptors. Journal of Agricultural and Food Chemistry, 2021, vol. 69, no 37, p. 10999-11005.
3.) HAAG, Franziska, HOFFMANN, Sandra, et KRAUTWURST, Dietmar. Key Food Furanones Furaneol and Sotolone Specifically Activate Distinct Odorant Receptors. Journal of Agricultural and Food Chemistry, 2021, vol. 69, no 37, p. 10999-11005.
4.) Hartmann C, Triller A, Spehr M, Dittrich R, Hatt H, Buettner A. Sperm-Activating Odorous Substances in Human Follicular Fluid and Vaginal Secretion: Identification by Gas Chromatography–Olfactometry and Ca2 Imaging. Chempluschem 78: 695–702, 2013. doi:10.1002/cplu.201300008
5.) Aya Namba, Naoko Saito, Michiaki Inoue, Go Toriyabe (2018) Search method of odor control agent by furaneol JP6276555B2