2-[[6-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,5,8-tetraoxo-3,4-dihydro-2H-1lambda6,4-benzothiazin-7-yl]amino]ethanesulfonic acid
| Internal ID | 385cf5d5-25a3-494f-9c4c-59662dc81643 |
| Taxonomy | Organoheterocyclic compounds > Benzothiazines |
| IUPAC Name | 2-[[6-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,5,8-tetraoxo-3,4-dihydro-2H-1lambda6,4-benzothiazin-7-yl]amino]ethanesulfonic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28N2O7S2/c1-13(2)5-4-6-14(3)7-8-15-16(21-10-12-31(27,28)29)19(24)20-17(18(15)23)22-9-11-30(20,25)26/h5,7,21-22H,4,6,8-12H2,1-3H3,(H,27,28,29)/b14-7+ |
| InChI Key | NORRIZIRZPQYEY-VGOFMYFVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H28N2O7S2 |
| Molecular Weight | 472.60 g/mol |
| Exact Mass | 472.13379358 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 2-[[6-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,5,8-tetraoxo-3,4-dihydro-2H-1lambda6,4-benzothiazin-7-yl]amino]ethanesulfonic acid](https://plantaedb.com/storage/docs/compounds/2023/11/75e49fb0-8511-11ee-b23b-376447389818.jpg "2D Structure of 2-[[6-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,5,8-tetraoxo-3,4-dihydro-2H-1lambda6,4-benzothiazin-7-yl]amino]ethanesulfonic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL255 | P29275 | Adenosine A2b receptor | 97.59% | 98.59% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.33% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 96.14% | 93.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.41% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.68% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.30% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.79% | 94.73% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 89.42% | 95.83% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.96% | 90.08% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.86% | 96.90% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.81% | 91.03% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 84.47% | 95.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.40% | 85.49% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.07% | 91.24% |
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.
| There are no matching plants. |
| PubChem | 11532931 |
| LOTUS | LTS0131453 |
| wikiData | Q105182731 |