(3s,6s)-3-(4-Hydroxybenzyl)-6-(1h-Indol-3-Ylmethyl)piperazine-2,5-Dione
| Internal ID | 28f47f8e-7cf0-42e6-92de-d4351f35e7c9 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H19N3O3/c24-14-7-5-12(6-8-14)9-17-19(25)23-18(20(26)22-17)10-13-11-21-16-4-2-1-3-15(13)16/h1-8,11,17-18,21,24H,9-10H2,(H,22,26)(H,23,25)/t17-,18-/m0/s1 |
| InChI Key | ZJDMXAAEAVGGSK-ROUUACIJSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C20H19N3O3 |
| Molecular Weight | 349.40 g/mol |
| Exact Mass | 349.14264148 g/mol |
| Topological Polar Surface Area (TPSA) | 94.20 Ų |
| XlogP | 2.40 |
| 20829-53-2 |
| (3s,6s)-3-(4-Hydroxybenzyl)-6-(1h-Indol-3-Ylmethyl)piperazine-2,5-Dione |
| (3S,6S)-3-((1H-indol-3-yl)methyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione |
| (3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione |
| Cyclo-L-Trp-L-Tyr |
| cyclo(L-Tyr-L-Trp) |
| CHEMBL191476 |
| MFCD00083829 |
| J-013664 |
| Q27452040 |
| 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 | 99.27% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.72% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.33% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.99% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 93.38% | 88.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.55% | 90.08% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.53% | 91.49% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.54% | 94.62% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.17% | 97.64% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 89.77% | 83.10% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.47% | 92.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.98% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.65% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.64% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.25% | 98.75% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.76% | 92.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.21% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.20% | 94.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.90% | 91.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.49% | 90.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.73% | 89.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.68% | 95.56% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 82.55% | 88.10% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.52% | 89.67% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.86% | 98.59% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.86% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.14% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 7408259 |
| LOTUS | LTS0206964 |
| wikiData | Q27452040 |