1-Methyl-4-[2-(4-nitrophenyl)ethenylsulfonyl]benzene
| Internal ID | 12dbe78a-2ca2-45d8-a26b-f02424f53bc9 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Toluenes > Tosyl compounds |
| IUPAC Name | 1-methyl-4-[2-(4-nitrophenyl)ethenylsulfonyl]benzene |
| SMILES (Canonical) | CC1=CC=C(C=C1)S(=O)(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-] |
| SMILES (Isomeric) | CC1=CC=C(C=C1)S(=O)(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChI | InChI=1S/C15H13NO4S/c1-12-2-8-15(9-3-12)21(19,20)11-10-13-4-6-14(7-5-13)16(17)18/h2-11H,1H3 |
| InChI Key | ODJRCTMFGQXBPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H13NO4S |
| Molecular Weight | 303.30 g/mol |
| Exact Mass | 303.05652907 g/mol |
| Topological Polar Surface Area (TPSA) | 88.30 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 1-Methyl-4-[2-(4-nitrophenyl)ethenylsulfonyl]benzene](https://plantaedb.com/storage/docs/compounds/2023/11/1-methyl-4-2-4-nitrophenylethenylsulfonylbenzene.jpg "2D Structure of 1-Methyl-4-[2-(4-nitrophenyl)ethenylsulfonyl]benzene")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.34% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 98.00% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.91% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.53% | 86.33% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.93% | 92.51% |
| CHEMBL2069 | P21731 | Thromboxane A2 receptor | 87.51% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.96% | 98.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.00% | 92.88% |
| CHEMBL3769292 | Q9H773 | dCTP pyrophosphatase 1 | 83.79% | 94.40% |
| CHEMBL2337 | P48067 | Glycine transporter 1 | 82.28% | 95.45% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 81.80% | 91.38% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 81.18% | 92.86% |
| CHEMBL3055 | P50613 | Cyclin-dependent kinase 7 | 81.11% | 81.88% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.52% | 94.80% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.49% | 85.30% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.23% | 93.99% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.03% | 93.81% |
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.
| Cardiospermum corindum |
| PubChem | 69058615 |
| LOTUS | LTS0084980 |
| wikiData | Q105189879 |