3-Benzylidene-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
| Internal ID | 033be264-9a6f-4d64-ba87-fb7d4c2b88b3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 3-benzylidene-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| SMILES (Canonical) | C1CC2C(=O)NC(=CC3=CC=CC=C3)C(=O)N2C1 |
| SMILES (Isomeric) | C1CC2C(=O)NC(=CC3=CC=CC=C3)C(=O)N2C1 |
| InChI | InChI=1S/C14H14N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2,(H,15,17) |
| InChI Key | QNHNSZPWSAZCLD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.27 g/mol |
| Exact Mass | 242.105527694 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 3-Benzylidene-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3-benzylidene-6788a-tetrahydropyrrolo12-apyrazine-14-dione.jpg "2D Structure of 3-Benzylidene-6,7,8,8a-tetrahydropyrrolo[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 | 96.38% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.18% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.69% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 94.36% | 97.05% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.28% | 92.97% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.57% | 97.09% |
| CHEMBL228 | P31645 | Serotonin transporter | 87.15% | 95.51% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.58% | 95.89% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.42% | 94.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.13% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.38% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.29% | 93.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.85% | 96.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.91% | 96.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.39% | 93.40% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.35% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.29% | 86.33% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.97% | 97.64% |
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.
| Garcinia atroviridis |
| PubChem | 617929 |
| LOTUS | LTS0022748 |
| wikiData | Q105224469 |