Mercaptomethyl acetate
| Internal ID | 47f5219e-8ccb-4e56-9cbf-a4b89964b954 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | sulfanylmethyl acetate |
| SMILES (Canonical) | CC(=O)OCS |
| SMILES (Isomeric) | CC(=O)OCS |
| InChI | InChI=1S/C3H6O2S/c1-3(4)5-2-6/h6H,2H2,1H3 |
| InChI Key | SIMUSDODLAXNBO-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C3H6O2S |
| Molecular Weight | 106.15 g/mol |
| Exact Mass | 106.00885060 g/mol |
| Topological Polar Surface Area (TPSA) | 27.30 Ų |
| XlogP | 0.50 |
| mercaptomethyl acetate |
| SCHEMBL3682644 |
| SIMUSDODLAXNBO-UHFFFAOYSA-N |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.31% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.23% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.95% | 98.95% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Allium ampeloprasum |
| PubChem | 15354425 |
| LOTUS | LTS0169533 |
| wikiData | Q104375773 |