3-[(4-Hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
| Internal ID | e5d74d69-d0fb-41d4-8454-b359ef5a553e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| SMILES (Canonical) | C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=C(C=C3)O |
| SMILES (Isomeric) | C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=C(C=C3)O |
| InChI | InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18) |
| InChI Key | LSGOTAXPWMCUCK-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C14H16N2O3 |
| Molecular Weight | 260.29 g/mol |
| Exact Mass | 260.11609238 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 1.00 |
| 5654-84-2 |
| 3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| 3-(4-Hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| NSC646120 |
| cyclo(tyrosyl-prolyl) |
| MEGxm0_000419 |
| SCHEMBL4320879 |
| CHEMBL1980823 |
| CHEBI:176817 |
| DTXSID601157236 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 3-[(4-Hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-hydroxyphenylmethyl-236788a-hexahydropyrrolo12-apyrazine-14-dione.jpg "2D Structure of 3-[(4-Hydroxyphenyl)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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.71% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.48% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.13% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.39% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.07% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.17% | 97.05% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 91.94% | 90.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.68% | 97.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.28% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.82% | 91.11% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.82% | 82.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.22% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.48% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.99% | 97.64% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 86.74% | 92.97% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.40% | 93.40% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 83.27% | 91.76% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.84% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.57% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.69% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.40% | 90.71% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.21% | 85.00% |
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.
| Zinnia elegans |
| PubChem | 371682 |
| LOTUS | LTS0078097 |
| wikiData | Q104171274 |