Brachystemidine B
| Internal ID | dfb421cd-6178-4408-90d7-444138949fdf |
| Taxonomy | Organoheterocyclic compounds > Pyrroles > Pyrrole carboxylic acids and derivatives |
| IUPAC Name | [(2R)-2-(2-methoxy-5-oxopyrrolidin-1-yl)-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate |
| SMILES (Canonical) | COC1CCC(=O)N1C2C(=CCO2)COC(=O)C3=CC=CN3 |
| SMILES (Isomeric) | COC1CCC(=O)N1[C@H]2C(=CCO2)COC(=O)C3=CC=CN3 |
| InChI | InChI=1S/C15H18N2O5/c1-20-13-5-4-12(18)17(13)14-10(6-8-21-14)9-22-15(19)11-3-2-7-16-11/h2-3,6-7,13-14,16H,4-5,8-9H2,1H3/t13?,14-/m1/s1 |
| InChI Key | IDTBQXSKCCAGNA-ARLHGKGLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H18N2O5 |
| Molecular Weight | 306.31 g/mol |
| Exact Mass | 306.12157168 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 0.00 |
| CHEBI:69772 |
| Q27138114 |
| [(2R)-2-(2-methoxy-5-oxopyrrolidin-1-yl)-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate |
| 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 | 99.03% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.82% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.51% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.00% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.13% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.57% | 95.56% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 88.52% | 97.28% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.07% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.53% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.45% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.16% | 97.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.62% | 93.99% |
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.
| Brachystemma calycinum |
| PubChem | 10859738 |
| LOTUS | LTS0037329 |
| wikiData | Q27138114 |