(8aS)-8-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
| Internal ID | 3da7b024-e555-46bb-83b2-b99d36a2a716 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (8aS)-8-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C8H12N2O2/c1-5-2-3-10-6(11)4-9-8(12)7(5)10/h5,7H,2-4H2,1H3,(H,9,12)/t5?,7-/m0/s1 |
| InChI Key | PMGPVTQHMNDJMP-MSZQBOFLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.19 g/mol |
| Exact Mass | 168.089877630 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of (8aS)-8-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/8as-8-methyl-236788a-hexahydropyrrolo12-apyrazine-14-dione.jpg "2D Structure of (8aS)-8-methyl-2,3,6,7,8,8a-hexahydropyrrolo[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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.67% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.42% | 98.95% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 89.31% | 94.66% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.45% | 91.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.85% | 93.04% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.98% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.47% | 95.56% |
| CHEMBL228 | P31645 | Serotonin transporter | 82.27% | 95.51% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.94% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.90% | 95.89% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.41% | 93.10% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 80.82% | 92.12% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.34% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.17% | 97.09% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 80.15% | 97.50% |
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 | 162820622 |
| LOTUS | LTS0061548 |
| wikiData | Q105211451 |