14-Oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,15,17,19-octaene-21-carbaldehyde
| Internal ID | b277d1cb-c535-4bcd-8480-e89e0d0f94ae |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,15,17,19-octaene-21-carbaldehyde |
| SMILES (Canonical) | C1C=C2C3=CC=CC=C3NC2=C4N1C(=O)C5=CC=CC=C5N4C=O |
| SMILES (Isomeric) | C1C=C2C3=CC=CC=C3NC2=C4N1C(=O)C5=CC=CC=C5N4C=O |
| InChI | InChI=1S/C19H13N3O2/c23-11-22-16-8-4-2-6-14(16)19(24)21-10-9-13-12-5-1-3-7-15(12)20-17(13)18(21)22/h1-9,11,20H,10H2 |
| InChI Key | JCVNMLBSENPIIK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H13N3O2 |
| Molecular Weight | 315.30 g/mol |
| Exact Mass | 315.100776666 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 14-Oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,15,17,19-octaene-21-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/c66c47a0-85da-11ee-964b-354e68e623bf.jpg "2D Structure of 14-Oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,15,17,19-octaene-21-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.51% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.77% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.48% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.15% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.94% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.52% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.51% | 93.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.21% | 91.49% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.16% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.87% | 96.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.73% | 88.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.22% | 94.45% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.55% | 96.67% |
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.
| Zanthoxylum integrifoliolum |
| PubChem | 162870744 |
| LOTUS | LTS0203756 |
| wikiData | Q105125160 |