(3S,8aS)-3-(hydroxymethyl)-octahydropyrrolo[1,2-a]piperazine-1,4-dione
| Internal ID | bcb37724-54d2-4fa4-947c-495934714777 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3S,8aS)-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C8H12N2O3/c11-4-5-8(13)10-3-1-2-6(10)7(12)9-5/h5-6,11H,1-4H2,(H,9,12)/t5-,6-/m0/s1 |
| InChI Key | AHTDIKDEEMDJGD-WDSKDSINSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C8H12N2O3 |
| Molecular Weight | 184.19 g/mol |
| Exact Mass | 184.08479225 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | -0.70 |
| (3S,8aS)-3-(hydroxymethyl)-octahydropyrrolo[1,2-a]piperazine-1,4-dione |
| (3S,8aS)-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| CHEMBL2229107 |
| SCHEMBL30281500 |
| (3S,8aS)-3-(hydroxymethyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| EN300-344913 |
![2D Structure of (3S,8aS)-3-(hydroxymethyl)-octahydropyrrolo[1,2-a]piperazine-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3s8as-3-hydroxymethyl-octahydropyrrolo12-apiperazine-14-dione.jpg "2D Structure of (3S,8aS)-3-(hydroxymethyl)-octahydropyrrolo[1,2-a]piperazine-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 | 96.60% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.26% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.85% | 97.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.84% | 97.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.50% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.54% | 90.08% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.19% | 95.62% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 87.37% | 92.97% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.51% | 95.89% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.00% | 97.64% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.64% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.57% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.44% | 93.04% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.89% | 82.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.57% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.22% | 95.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.02% | 95.50% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.56% | 91.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.12% | 91.11% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.01% | 88.56% |
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 | 44185776 |
| LOTUS | LTS0076256 |
| wikiData | Q104912441 |