difurfuryl disulfide
SMILES:
C1=COC(=C1)CSSCC2=CC=CO2
Aroma Description:
cabbage, chicken, coffee, meaty, onion, roasted, sulfurous, cocoa, coffee, earthy, fungal, meaty, mild, mushroom, nutty, roasted1
Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
---|---|---|---|---|
OR2W1 | -5.365 4 | 5.5 3 | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit | |
OR2B11 | -6.8 2 | 0.442 2, 0 3 | tonka, medicinal, rubbery, coumarinic, hay, tobacco, candy, seafood, earthy, coffee | |
OR10G3 | - | 0 3 | ||
OR10G7 | - | 0 3 | ||
OR10J5 | - | 0 3 | ||
OR1A1 | - | 0 3 | ||
OR1C1 | - | 0 3 | ||
OR2A25 | - | 0 3 | ||
OR2J2 | - | 0 3 | ||
OR2J3 | - | 0 3 | ||
OR51E1 | - | 0 3 | ||
OR51L1 | - | 0 3 | ||
OR56A4 | - | 0 3 | ||
OR5K1 | - | 0 3 | ||
OR8K3 | - | 0 3 | ||
OR8D1 | - | -0.03 3 | ||
OR11A1 | - | -0.1667 3 | ||
OR5P3 | - | -2.5 3 |
difurfuryl disulfide
SMILES:
C1=COC(=C1)CSSCC2=CC=CO2
Aroma Description:
cabbage, chicken, coffee, meaty, onion, roasted, sulfurous, cocoa, coffee, earthy, fungal, meaty, mild, mushroom, nutty, roasted
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.
LSP: Ligand Surface Polarity, i.e. how much of the ligand's surface is hydrophilic.
LSRB: Ligand Surface Receptor Binding, i.e. how much of the ligand's surface interacts with receptor atoms.
1.) The Good Scents Company
2.) Mainland JD, Li YR, Zhou T, Liu WL, Matsunami H. Human olfactory receptor responses to odorants. Sci Data. 2015 Feb 3;2:150002. doi: 10.1038/sdata.2015.2. PMID: 25977809; PMCID: PMC4412152.
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 Haag, Antonella Di Pizio, Dietmar Krautwurst, The key food odorant receptive range of broadly tuned receptor OR2W1. Food Chemistry 375 (2022) 131680