(S,Z)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione
| Internal ID | 6590d74e-ea6c-48c7-bdc0-03cdf150d6cc |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3Z,8aS)-3-ethylidene-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| SMILES (Canonical) | CC=C1C(=O)N2CCCC2C(=O)N1 |
| SMILES (Isomeric) | C/C=C\1/C(=O)N2CCC[C@H]2C(=O)N1 |
| InChI | InChI=1S/C9H12N2O2/c1-2-6-9(13)11-5-3-4-7(11)8(12)10-6/h2,7H,3-5H2,1H3,(H,10,12)/b6-2-/t7-/m0/s1 |
| InChI Key | ZNFUNIIHSUSXNE-OUKKNOHXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.20 g/mol |
| Exact Mass | 180.089877630 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 0.30 |
| Pyrrolo[1,2-a]pyrazine-1,4-dione, 3-ethylidenehexahydro-, (3Z,8aS)- (9CI) |
| (S,Z)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| (3Z,8aS)-3-ethylidene-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| (3Z,8AS)-3-ETHYLIDENEHEXAHYDRO |
![2D Structure of (S,Z)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/sz-3-ethylidenehexahydropyrrolo12-apyrazine-14-dione.jpg "2D Structure of (S,Z)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.11% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 94.98% | 97.05% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.75% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.32% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.17% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.91% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.76% | 97.25% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.72% | 93.03% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.60% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.45% | 97.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 88.08% | 92.97% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 87.86% | 95.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.43% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.01% | 91.11% |
| CHEMBL228 | P31645 | Serotonin transporter | 85.04% | 95.51% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.41% | 93.04% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.08% | 90.24% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.00% | 91.03% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 83.92% | 99.29% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.35% | 94.75% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.03% | 97.64% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.60% | 95.62% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 81.60% | 92.12% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.51% | 99.23% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.74% | 98.99% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.65% | 99.18% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.56% | 94.78% |
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.
| Aspidosperma quebracho-blanco |
| PubChem | 13876565 |
| LOTUS | LTS0232739 |
| wikiData | Q105380042 |