Slagenin B
| Internal ID | 64293752-0ec5-4f53-b237-552b943907cf |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > 2-heteroaryl carboxamides |
| IUPAC Name | N-[[(3aS,5S,6aR)-3a-methoxy-2-oxo-3,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H15BrN4O4/c1-20-12-9(16-11(19)17-12)3-7(21-12)5-15-10(18)8-2-6(13)4-14-8/h2,4,7,9,14H,3,5H2,1H3,(H,15,18)(H2,16,17,19)/t7-,9+,12-/m0/s1 |
| InChI Key | NMYWRAJXOWKTDP-VMAXQDLPSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C12H15BrN4O4 |
| Molecular Weight | 359.18 g/mol |
| Exact Mass | 358.02767 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 0.00 |
| RefChem:931852 |
| 246137-00-8 |
| N-(((3aR,5R,6aR)-6a-methoxy-2-oxo-3,3a,5,6-tetrahydro-1H-furo(2,3-d)imidazol-5-yl)methyl)-4-bromo-1H-pyrrole-2-carboxamide |
| N-(((3aS,5S,6aR)-3a-methoxy-2-oxo-3,5,6,6a-tetrahydro-1H-furo(2,3-d)imidazol-5-yl)methyl)-4-bromo-1H-pyrrole-2-carboxamide |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.26% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.61% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.67% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.22% | 97.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 90.09% | 92.88% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.68% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.35% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.98% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.80% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.51% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.96% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.15% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.90% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.13% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.21% | 93.03% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.96% | 80.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.66% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.59% | 85.14% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.37% | 97.28% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 80.31% | 94.01% |
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.
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| There are no matching plants. |
| PubChem | 100982103 |
| LOTUS | LTS0074115 |
| wikiData | Q105182020 |