3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
| Internal ID | c739e0e3-d624-47bd-8aa7-a32c3de90584 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H17N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17H,3,6-8H2,(H,18,20) |
| InChI Key | RYFZBPVMVYTEKZ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C16H17N3O2 |
| Molecular Weight | 283.32 g/mol |
| Exact Mass | 283.132076794 g/mol |
| Topological Polar Surface Area (TPSA) | 65.20 Ų |
| XlogP | 1.50 |
| MEGxm0_000121 |
| SCHEMBL2039877 |
| ACon0_001418 |
| ACon1_002338 |
| CHEBI:182578 |
| BCP24252 |
| AKOS032947322 |
| FS-6947 |
| NSC-351976 |
| 3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.21% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.90% | 98.95% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 96.97% | 96.31% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 95.31% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.27% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 95.12% | 88.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.76% | 97.64% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 94.46% | 92.97% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.31% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.35% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.95% | 96.09% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 91.27% | 91.76% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.14% | 97.05% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 89.66% | 92.12% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.48% | 95.62% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.17% | 96.39% |
| CHEMBL228 | P31645 | Serotonin transporter | 87.89% | 95.51% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.86% | 95.89% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.48% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.13% | 93.99% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.52% | 93.03% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.34% | 91.49% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.20% | 89.62% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 85.07% | 91.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.66% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.36% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.90% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.70% | 85.14% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.92% | 92.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.86% | 94.75% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.75% | 96.25% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.30% | 98.59% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.10% | 83.10% |
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 | 434562 |
| LOTUS | LTS0224225 |
| wikiData | Q105247550 |