2',6',11-Tribromo-8-hydroxyspiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),8,10,12(16)-pentaene-3,4'-cyclohexa-2,5-diene]-1'-one
| Internal ID | 530e5d85-73ec-48c9-915c-31820c58a4f1 |
| Taxonomy | Organoheterocyclic compounds > Phenanthrolines |
| IUPAC Name | 2',6',11-tribromo-8-hydroxyspiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),8,10,12(16)-pentaene-3,4'-cyclohexa-2,5-diene]-1'-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H12Br3N3O2/c19-8-5-18(6-9(20)15(8)25)2-4-23-14-11(18)12-10-7(1-3-22-12)17(21)24-13(10)16(14)26/h5-6,23,26H,1-4H2 |
| InChI Key | FWYXMVDVJFUFPG-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H12Br3N3O2 |
| Molecular Weight | 542.00 g/mol |
| Exact Mass | 540.84591 g/mol |
| Topological Polar Surface Area (TPSA) | 74.10 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 2',6',11-Tribromo-8-hydroxyspiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),8,10,12(16)-pentaene-3,4'-cyclohexa-2,5-diene]-1'-one](https://plantaedb.com/storage/docs/compounds/2023/11/14-bromodiscorhabdin-c.jpg "2D Structure of 2',6',11-Tribromo-8-hydroxyspiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),8,10,12(16)-pentaene-3,4'-cyclohexa-2,5-diene]-1'-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.04% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.76% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.05% | 96.09% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 91.65% | 95.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.41% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.16% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.09% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.41% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.25% | 93.40% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.26% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.68% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.56% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.49% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.19% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.55% | 88.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.10% | 82.69% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.08% | 94.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.59% | 93.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.01% | 93.04% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.98% | 80.96% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.97% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.59% | 89.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.05% | 95.88% |
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 | 135464554 |
| LOTUS | LTS0129254 |
| wikiData | Q105003735 |