3-(3,4-Dihydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
| Internal ID | 4b3c0c87-2175-4594-81c1-3677436a2c68 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 3-[(3,4-dihydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H16N2O4/c17-11-4-3-8(7-12(11)18)6-9-14(20)16-5-1-2-10(16)13(19)15-9/h3-4,7,9-10,17-18H,1-2,5-6H2,(H,15,19) |
| InChI Key | QSFBICASXGBTSB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H16N2O4 |
| Molecular Weight | 276.29 g/mol |
| Exact Mass | 276.11100700 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 0.70 |
| 3-(3,4-Dihydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| 3-[(3,4-dihydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| NSC-669576 |
![2D Structure of 3-(3,4-Dihydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3-34-dihydroxybenzylhexahydropyrrolo12-apyrazine-14-dione.jpg "2D Structure of 3-(3,4-Dihydroxybenzyl)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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.26% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.76% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.63% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.16% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.83% | 93.40% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 94.03% | 97.05% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.85% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.89% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.65% | 82.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.64% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.31% | 97.09% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 87.56% | 91.76% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.26% | 85.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.20% | 90.08% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.70% | 99.18% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.35% | 99.15% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.77% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.18% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.85% | 93.03% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.83% | 92.97% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.74% | 80.78% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.27% | 91.03% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.25% | 97.64% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.05% | 90.00% |
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.
| There are no matching plants. |
| PubChem | 382130 |
| LOTUS | LTS0122158 |
| wikiData | Q104196147 |