Bretschneiderazine B
| Internal ID | 1e30dc1c-128d-4c2f-a4b8-fed1e21bce02 |
| Taxonomy | Organoheterocyclic compounds > Benzothiazines |
| IUPAC Name | 7,8-dimethoxy-3-methyl-2-sulfanylidene-1,3-benzothiazin-4-one |
| SMILES (Canonical) | CN1C(=O)C2=C(C(=C(C=C2)OC)OC)SC1=S |
| SMILES (Isomeric) | CN1C(=O)C2=C(C(=C(C=C2)OC)OC)SC1=S |
| InChI | InChI=1S/C11H11NO3S2/c1-12-10(13)6-4-5-7(14-2)8(15-3)9(6)17-11(12)16/h4-5H,1-3H3 |
| InChI Key | GQSCDKJMVQBKSC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H11NO3S2 |
| Molecular Weight | 269.30 g/mol |
| Exact Mass | 269.01803556 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 2.30 |
| CHEMBL1223571 |
| 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 | 93.67% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.33% | 96.09% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 92.91% | 80.78% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.90% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.76% | 94.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.88% | 98.59% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.66% | 96.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.87% | 90.95% |
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.
| Bretschneidera sinensis |
| PubChem | 46938553 |
| LOTUS | LTS0062803 |
| wikiData | Q105015550 |