[(2S)-2-[(3R,5S)-3,5-dihydroxy-2-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate
| Internal ID | e52e93d3-6816-4616-9e4f-5d8e19aaca52 |
| Taxonomy | Organoheterocyclic compounds > Pyrroles > Pyrrole carboxylic acids and derivatives |
| IUPAC Name | [(2S)-2-[(3R,5S)-3,5-dihydroxy-2-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate |
| SMILES (Canonical) | C1C=C(C(O1)N2C(CC(C2=O)O)O)COC(=O)C3=CC=CN3 |
| SMILES (Isomeric) | C1C=C([C@H](O1)N2[C@H](C[C@H](C2=O)O)O)COC(=O)C3=CC=CN3 |
| InChI | InChI=1S/C14H16N2O6/c17-10-6-11(18)16(12(10)19)13-8(3-5-21-13)7-22-14(20)9-2-1-4-15-9/h1-4,10-11,13,15,17-18H,5-7H2/t10-,11+,13+/m1/s1 |
| InChI Key | FNUUELXEOOURSN-MDZLAQPJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H16N2O6 |
| Molecular Weight | 308.29 g/mol |
| Exact Mass | 308.10083623 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of [(2S)-2-[(3R,5S)-3,5-dihydroxy-2-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/890fd330-856c-11ee-847b-fb8adce5e743.jpg "2D Structure of [(2S)-2-[(3R,5S)-3,5-dihydroxy-2-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 | 98.18% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.38% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.37% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.97% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.89% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.76% | 95.56% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.64% | 97.28% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.10% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.83% | 90.17% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 81.69% | 88.84% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.09% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.71% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.22% | 99.23% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.14% | 93.04% |
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 | 162945751 |
| LOTUS | LTS0063671 |
| wikiData | Q104998549 |