pentane-1-thiol
SMILES:
CCCCCS
Aroma Description:
sulfurous, fatty, roasted, meaty, vegetable1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR2T2 | - | 10 3 | roasted, savory, meaty, chicken, sulfurous, coffee | |
| OR2T8 | - | 10 3 | (insufficient data) | |
| OR2C1 | -4.7 2 | 10 2 | sulfurous, skunk, roasted, meaty | |
| OR2W1 | - | 3.5 2 | fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit |
pentane-1-thiol
SMILES:
CCCCCS
Aroma Description:
sulfurous, fatty, roasted, meaty, vegetable
| Receptor | Agonist? | Dock Score | Pose1 | LSRB - LSP | 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.
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.) Block, Batista, Matsunami, Zhuang, Ahmed The role of metals in mammalian olfaction of low molecular weight organosulfur compound Nat. Prod. Rep., 2017,34, 529-557
3.) Tong, T., Wang, Y., Kang, S. G., & Huang, K. (2021). Ectopic odorant receptor responding to flavor compounds: Versatile roles in health and disease. Pharmaceutics, 13(8), 1314.