12-(4,11-Dihydroxy-10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,11,13(17),14-octaen-12-yl)-4,11-dihydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,11,13(17),14-octaen-10-one
| Internal ID | 0ca0d88e-2e06-404b-8c06-57ed39131c68 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines |
| IUPAC Name | 12-(4,11-dihydroxy-10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,11,13(17),14-octaen-12-yl)-4,11-dihydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,11,13(17),14-octaen-10-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H14N4O6/c35-11-1-3-17-15(9-11)23-21-13(5-7-31-23)19(27(37)29(39)25(21)33-17)20-14-6-8-32-24-16-10-12(36)2-4-18(16)34-26(22(14)24)30(40)28(20)38/h1-10,35-38H |
| InChI Key | QAHVAYSWBCJFAX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H14N4O6 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.09133418 g/mol |
| Topological Polar Surface Area (TPSA) | 167.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 12-(4,11-Dihydroxy-10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,11,13(17),14-octaen-12-yl)-4,11-dihydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,11,13(17),14-octaen-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/cf627140-8546-11ee-9993-bd9741dab6d2.jpg "2D Structure of 12-(4,11-Dihydroxy-10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,11,13(17),14-octaen-12-yl)-4,11-dihydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,11,13(17),14-octaen-10-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.35% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.02% | 91.49% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 97.78% | 83.57% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 95.66% | 93.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.46% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.42% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.29% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.49% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.26% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.05% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.03% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.53% | 94.42% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.93% | 96.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.86% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.89% | 94.75% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.54% | 97.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.35% | 95.83% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 82.82% | 96.47% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.57% | 91.71% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.16% | 96.09% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.13% | 97.33% |
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 | 136908888 |
| LOTUS | LTS0085566 |
| wikiData | Q105217403 |