Diazaquinomycin E
| Internal ID | e564e18c-bccf-43c8-a0a5-fc40fafc823e |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinoline quinones |
| IUPAC Name | 3-methyl-4,6-dipentyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone |
| SMILES (Canonical) | CCCCCC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C(=C3CCCCC)C |
| SMILES (Isomeric) | CCCCCC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C(=C3CCCCC)C |
| InChI | InChI=1S/C23H28N2O4/c1-4-6-8-10-14-12-16(26)24-19-17(14)21(27)18-15(11-9-7-5-2)13(3)23(29)25-20(18)22(19)28/h12H,4-11H2,1-3H3,(H,24,26)(H,25,29) |
| InChI Key | XRVKCURQKFTZGG-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H28N2O4 |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.20490738 g/mol |
| Topological Polar Surface Area (TPSA) | 92.30 Ų |
| XlogP | 3.60 |
| CHEBI:222154 |
| 3-methyl-4,6-dipentyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone |
| 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 | 97.15% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 97.03% | 98.59% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.32% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.28% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.43% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.26% | 92.08% |
| CHEMBL240 | Q12809 | HERG | 89.20% | 89.76% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.25% | 96.43% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.43% | 95.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.11% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.07% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.42% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.06% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.57% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.32% | 86.33% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.91% | 97.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.65% | 96.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.80% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.11% | 93.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139587641 |
| LOTUS | LTS0104553 |
| wikiData | Q77571005 |