(5R,6S)-7,9-dibromo-N-[2-[3,5-dibromo-4-[3-(hexadecanoylamino)propoxy]phenyl]ethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
| Internal ID | a4a5656f-1851-4459-9b73-46eb0c927b6c |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | (5R,6S)-7,9-dibromo-N-[2-[3,5-dibromo-4-[3-(hexadecanoylamino)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/C37H53Br4N3O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-31(45)42-19-16-21-49-33-27(38)22-26(23-28(33)39)18-20-43-36(47)30-25-37(50-44-30)24-29(40)34(48-2)32(41)35(37)46/h22-24,35,46H,3-21,25H2,1-2H3,(H,42,45)(H,43,47)/t35-,37+/m1/s1 |
| InChI Key | FTTKFBVNRPXAKA-BZFILIQBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H53Br4N3O6 |
| Molecular Weight | 955.40 g/mol |
| Exact Mass | 955.06269 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 10.60 |
| There are no found synonyms. |
![2D Structure of (5R,6S)-7,9-dibromo-N-[2-[3,5-dibromo-4-[3-(hexadecanoylamino)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/2023/11/361a8bc0-86f6-11ee-8f04-c3fd214dab10.jpg "2D Structure of (5R,6S)-7,9-dibromo-N-[2-[3,5-dibromo-4-[3-(hexadecanoylamino)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 |
|---|---|---|---|---|
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 99.20% | 90.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.14% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 99.14% | 95.17% |
| CHEMBL240 | Q12809 | HERG | 99.09% | 89.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.91% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.89% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.47% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.30% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.02% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.89% | 94.73% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 92.80% | 95.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.85% | 90.17% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.34% | 91.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.68% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.42% | 89.34% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.75% | 89.63% |
| CHEMBL3891 | P07384 | Calpain 1 | 88.26% | 93.04% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.12% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.15% | 95.89% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.45% | 96.90% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 85.88% | 89.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.62% | 92.08% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.42% | 92.88% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.30% | 92.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.46% | 82.38% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.18% | 97.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.04% | 94.75% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.49% | 85.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.84% | 90.71% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.75% | 80.33% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.55% | 89.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.10% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.09% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.02% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.69% | 96.77% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.63% | 93.00% |
| CHEMBL3180 | O00748 | Carboxylesterase 2 | 80.01% | 90.00% |
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 | 163091708 |
| LOTUS | LTS0099396 |
| wikiData | Q105001294 |