3-(1H-Indol-3-ylmethyl)-6-methyl-2,5-piperazinedione
| Internal ID | d773548c-9964-46d7-add5-dbe37ea04974 |
| 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)-6-methylpiperazine-2,5-dione |
| SMILES (Canonical) | CC1C(=O)NC(C(=O)N1)CC2=CNC3=CC=CC=C32 |
| SMILES (Isomeric) | CC1C(=O)NC(C(=O)N1)CC2=CNC3=CC=CC=C32 |
| InChI | InChI=1S/C14H15N3O2/c1-8-13(18)17-12(14(19)16-8)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,12,15H,6H2,1H3,(H,16,19)(H,17,18) |
| InChI Key | VDMMFAOUINDEGC-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C14H15N3O2 |
| Molecular Weight | 257.29 g/mol |
| Exact Mass | 257.116426730 g/mol |
| Topological Polar Surface Area (TPSA) | 74.00 Ų |
| XlogP | 1.20 |
| 26384-48-5 |
| SCHEMBL3121649 |
| 3-(1H-Indol-3-ylmethyl)-6-methyl-2,5-piperazinedione |
| 3-((1H-indol-3-yl)methyl)-6-methylpiperazine-2,5-dione |
| CHEBI:182109 |
| NCGC00380229-01 |
| 3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.29% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.18% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.69% | 95.56% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 92.43% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.44% | 94.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.87% | 91.49% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.61% | 88.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.62% | 97.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.79% | 90.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.26% | 98.59% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.87% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.30% | 83.82% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.53% | 93.99% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.36% | 98.57% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.53% | 99.23% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.40% | 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 | 15563753 |
| LOTUS | LTS0169020 |
| wikiData | Q105284251 |