Neoxaline
| Internal ID | d9ac362e-78e3-4033-a678-0c6a257f6c48 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Pyridoindolones |
| IUPAC Name | (14E)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7-triene-12,15-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H25N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-10,12-13,18,29H,1,11H2,2-4H3,(H,24,25)(H,26,30)/b17-10+ |
| InChI Key | HHLNXXASUKFCCX-LICLKQGHSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C23H25N5O4 |
| Molecular Weight | 435.50 g/mol |
| Exact Mass | 435.19065430 g/mol |
| Topological Polar Surface Area (TPSA) | 111.00 Ų |
| XlogP | 2.40 |
| 71812-10-7 |
| Nedoxaline |
| (14E)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7-triene-12,15-dione |
| (14Z)-11-Hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7-triene-12,15-dione |
| 7a-(1,1-Dimethyl-2-propenyl)-6,7,7a,12-tetrahydro-6-hydroxy-3-(1H-imidazol-4-ylmethylene)-12-methoxy-1H,5H-imidazo[1',2' |
| BRN 5669473 |
| SCHEMBL21194964 |
| DTXSID80893992 |
| HB3996 |
| AKOS040753246 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.74% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.38% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.94% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.18% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.15% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.45% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.37% | 93.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 90.02% | 92.88% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.53% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.94% | 99.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.77% | 94.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.75% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.35% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.77% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.43% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.91% | 85.14% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 85.88% | 96.39% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.49% | 93.65% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.80% | 97.33% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 82.61% | 88.84% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.58% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.73% | 94.00% |
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 | 6440491 |
| LOTUS | LTS0075480 |
| wikiData | Q15425784 |