(4E,6Z)-10-bromo-N-(5-ethyl-5-methyl-2-oxofuran-3-yl)-3,9-dihydroxyoctadeca-4,6-dienamide
| Internal ID | f0aed1e8-b098-4fba-a951-46d1d02b2f5b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | (4E,6Z)-10-bromo-N-(5-ethyl-5-methyl-2-oxofuran-3-yl)-3,9-dihydroxyoctadeca-4,6-dienamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H40BrNO5/c1-4-6-7-8-9-12-15-20(26)22(29)16-13-10-11-14-19(28)17-23(30)27-21-18-25(3,5-2)32-24(21)31/h10-11,13-14,18-20,22,28-29H,4-9,12,15-17H2,1-3H3,(H,27,30)/b13-10-,14-11+ |
| InChI Key | AKEOLENLJFVVTD-FXYWYECCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H40BrNO5 |
| Molecular Weight | 514.50 g/mol |
| Exact Mass | 513.20899 g/mol |
| Topological Polar Surface Area (TPSA) | 95.90 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
| 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 | 98.49% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.99% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.34% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.89% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.88% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 94.46% | 89.76% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.41% | 94.73% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.11% | 98.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.14% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.91% | 92.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.41% | 85.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.36% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.52% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.43% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.24% | 99.23% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.07% | 97.29% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 84.78% | 95.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.50% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.00% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.46% | 82.69% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.81% | 96.90% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.66% | 92.86% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.59% | 92.88% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.40% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.96% | 96.00% |
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 | 11785607 |
| LOTUS | LTS0081320 |
| wikiData | Q77561299 |