methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate
| Internal ID | 5d6a07db-33c7-410a-95b7-3301a0b699c5 |
| Taxonomy | Organoheterocyclic compounds > Benzothiazoles |
| IUPAC Name | methyl (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyanoacetate |
| SMILES (Canonical) | COC(=O)C(=C1NC2=CC=CC=C2S1)C#N |
| SMILES (Isomeric) | COC(=O)/C(=C/1\NC2=CC=CC=C2S1)/C#N |
| InChI | InChI=1S/C11H8N2O2S/c1-15-11(14)7(6-12)10-13-8-4-2-3-5-9(8)16-10/h2-5,13H,1H3/b10-7+ |
| InChI Key | SEIUOPPGQAMYGB-JXMROGBWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H8N2O2S |
| Molecular Weight | 232.26 g/mol |
| Exact Mass | 232.03064868 g/mol |
| Topological Polar Surface Area (TPSA) | 87.40 Ų |
| XlogP | 2.20 |
| methyl (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyanoacetate |
| AC1NRZ8N |
| CHEBI:74935 |
| Q27145021 |
| InChI=1/C11H8N2O2S/c1-15-11(14)7(6-12)10-13-8-4-2-3-5-9(8)16-10/h2-5,13H,1H3/b10-7 |
| 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 | 97.11% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.01% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.06% | 90.17% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 93.57% | 94.08% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.59% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.12% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.76% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.48% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.07% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.06% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.95% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.63% | 99.23% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 84.30% | 94.97% |
| CHEMBL5028 | O14672 | ADAM10 | 83.13% | 97.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.22% | 94.23% |
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.
| Arabidopsis thaliana |
| PubChem | 5325824 |
| LOTUS | LTS0217114 |
| wikiData | Q27145021 |