[4-(2-Methylsulfanyl-1,3-thiazol-5-yl)phenyl] hydrogen sulfate
| Internal ID | d3cd9cdd-6fd4-4263-abfb-bb150f894aeb |
| Taxonomy | Organic acids and derivatives > Organic sulfuric acids and derivatives > Arylsulfates > Phenylsulfates |
| IUPAC Name | [4-(2-methylsulfanyl-1,3-thiazol-5-yl)phenyl] hydrogen sulfate |
| SMILES (Canonical) | CSC1=NC=C(S1)C2=CC=C(C=C2)OS(=O)(=O)O |
| SMILES (Isomeric) | CSC1=NC=C(S1)C2=CC=C(C=C2)OS(=O)(=O)O |
| InChI | InChI=1S/C10H9NO4S3/c1-16-10-11-6-9(17-10)7-2-4-8(5-3-7)15-18(12,13)14/h2-6H,1H3,(H,12,13,14) |
| InChI Key | BPODYZMSQXZDSL-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C10H9NO4S3 |
| Molecular Weight | 303.40 g/mol |
| Exact Mass | 302.96937129 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [4-(2-Methylsulfanyl-1,3-thiazol-5-yl)phenyl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/4-2-methylsulfanyl-13-thiazol-5-ylphenyl-hydrogen-sulfate.jpg "2D Structure of [4-(2-Methylsulfanyl-1,3-thiazol-5-yl)phenyl] hydrogen sulfate")
| 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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.98% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.66% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.70% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.53% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.98% | 93.31% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.48% | 81.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.06% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.52% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.38% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.62% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 86.31% | 96.12% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 86.24% | 97.53% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 86.05% | 87.67% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 85.27% | 95.69% |
| CHEMBL2808 | Q13133 | LXR-alpha | 84.80% | 97.06% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.44% | 99.23% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.12% | 93.10% |
| CHEMBL2487 | P05067 | Beta amyloid A4 protein | 80.74% | 96.74% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.48% | 92.51% |
| CHEMBL4093 | P55055 | LXR-beta | 80.27% | 95.00% |
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.
| Dioscorea polystachya |
| Zea mays |
| PubChem | 21776367 |
| LOTUS | LTS0118479 |
| wikiData | Q105209045 |