7,9-dibromo-N-[2-[3,5-dibromo-4-[3-(13-methyltetradecanoylamino)propoxy]phenyl]ethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
| Internal ID | 832906ae-601c-4445-8672-402bc8e43e30 |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | 7,9-dibromo-N-[2-[3,5-dibromo-4-[3-(13-methyltetradecanoylamino)propoxy]phenyl]ethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H51Br4N3O6/c1-24(2)14-11-9-7-5-4-6-8-10-12-15-30(44)41-17-13-19-48-32-26(37)20-25(21-27(32)38)16-18-42-35(46)29-23-36(49-43-29)22-28(39)33(47-3)31(40)34(36)45/h20-22,24,34,45H,4-19,23H2,1-3H3,(H,41,44)(H,42,46) |
| InChI Key | OPHQTJULCBTFDO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H51Br4N3O6 |
| Molecular Weight | 941.40 g/mol |
| Exact Mass | 941.04704 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 9.70 |
| There are no found synonyms. |
![2D Structure of 7,9-dibromo-N-[2-[3,5-dibromo-4-[3-(13-methyltetradecanoylamino)propoxy]phenyl]ethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/9a7918e0-84bd-11ee-8e46-f32b7dc41826.jpg "2D Structure of 7,9-dibromo-N-[2-[3,5-dibromo-4-[3-(13-methyltetradecanoylamino)propoxy]phenyl]ethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.36% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 98.89% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.39% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.25% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.53% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.44% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.55% | 94.75% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 96.20% | 95.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.91% | 94.73% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 95.49% | 85.31% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 94.68% | 90.24% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 94.07% | 89.67% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.29% | 95.89% |
| CHEMBL240 | Q12809 | HERG | 91.89% | 89.76% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.42% | 90.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.21% | 91.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.89% | 94.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.64% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.27% | 90.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.68% | 92.88% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 87.59% | 92.98% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 87.32% | 89.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.86% | 96.90% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.76% | 97.25% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 86.68% | 96.25% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 86.50% | 89.44% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.77% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.72% | 98.75% |
| CHEMBL3891 | P07384 | Calpain 1 | 85.68% | 93.04% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.59% | 90.24% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.09% | 97.21% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.68% | 97.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.59% | 93.56% |
| CHEMBL1865 | Q9UBN7 | Histone deacetylase 6 | 84.05% | 97.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.78% | 93.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.63% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.41% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.12% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.54% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.16% | 90.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.29% | 90.08% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.60% | 96.77% |
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 | 73837775 |
| LOTUS | LTS0131180 |
| wikiData | Q105196276 |