11-(2-Methylpropyl)-14-nitro-1,9,12-triazatetracyclo[14.6.1.03,8.017,22]tricosa-3,5,7,16(23),17,19,21-heptaene-2,10,13-trione
| Internal ID | 21f1d3d2-0919-4163-ae77-8cabbb56e331 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 11-(2-methylpropyl)-14-nitro-1,9,12-triazatetracyclo[14.6.1.03,8.017,22]tricosa-3,5,7,16(23),17,19,21-heptaene-2,10,13-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H24N4O5/c1-14(2)11-19-22(29)25-18-9-5-3-8-17(18)24(31)27-13-15(16-7-4-6-10-20(16)27)12-21(28(32)33)23(30)26-19/h3-10,13-14,19,21H,11-12H2,1-2H3,(H,25,29)(H,26,30) |
| InChI Key | KGMJPYKOPYIKIO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24N4O5 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.17466988 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 11-(2-Methylpropyl)-14-nitro-1,9,12-triazatetracyclo[14.6.1.03,8.017,22]tricosa-3,5,7,16(23),17,19,21-heptaene-2,10,13-trione](https://plantaedb.com/storage/docs/compounds/2023/11/45a836b0-865b-11ee-a91d-f56bdc61a245.jpg "2D Structure of 11-(2-Methylpropyl)-14-nitro-1,9,12-triazatetracyclo[14.6.1.03,8.017,22]tricosa-3,5,7,16(23),17,19,21-heptaene-2,10,13-trione")
| 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 | 99.39% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.60% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.17% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.81% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 97.31% | 82.69% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 95.03% | 92.97% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.79% | 91.11% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 92.43% | 96.31% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.96% | 90.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.73% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.65% | 94.75% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 88.48% | 95.83% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.42% | 86.33% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 87.57% | 92.12% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.32% | 99.23% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 87.19% | 94.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.84% | 89.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 85.88% | 85.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.86% | 97.09% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 85.57% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.27% | 98.59% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 85.12% | 89.92% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.55% | 85.11% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.65% | 96.67% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.84% | 96.25% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.52% | 83.10% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.65% | 96.47% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.58% | 97.14% |
| CHEMBL228 | P31645 | Serotonin transporter | 81.53% | 95.51% |
| CHEMBL4237 | O75582 | Ribosomal protein S6 kinase alpha 5 | 80.93% | 91.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.55% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 72817291 |
| LOTUS | LTS0123074 |
| wikiData | Q104170264 |