N-[3-[2,6-dibromo-4-[2-[[(2Z)-3-(3-bromo-4-methoxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyl]phenoxy]propyl]-13-methyltetradecanamide
| Internal ID | 774dc315-2106-4476-8df8-aa1b7ff470ab |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | N-[3-[2,6-dibromo-4-[2-[[(2Z)-3-(3-bromo-4-methoxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyl]phenoxy]propyl]-13-methyltetradecanamide |
| SMILES (Canonical) | CC(C)CCCCCCCCCCCC(=O)NCCCOC1=C(C=C(C=C1Br)CCNC(=O)C(=NO)CC2=CC(=C(C=C2)OC)Br)Br |
| SMILES (Isomeric) | CC(C)CCCCCCCCCCCC(=O)NCCCOC1=C(C=C(C=C1Br)CCNC(=O)/C(=N\O)/CC2=CC(=C(C=C2)OC)Br)Br |
| InChI | InChI=1S/C36H52Br3N3O5/c1-26(2)14-11-9-7-5-4-6-8-10-12-15-34(43)40-19-13-21-47-35-30(38)23-28(24-31(35)39)18-20-41-36(44)32(42-45)25-27-16-17-33(46-3)29(37)22-27/h16-17,22-24,26,45H,4-15,18-21,25H2,1-3H3,(H,40,43)(H,41,44)/b42-32- |
| InChI Key | KDEFUZWYYGONOY-LNVYXVJNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H52Br3N3O5 |
| Molecular Weight | 846.50 g/mol |
| Exact Mass | 845.14366 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 12.00 |
| There are no found synonyms. |
![2D Structure of N-[3-[2,6-dibromo-4-[2-[[(2Z)-3-(3-bromo-4-methoxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyl]phenoxy]propyl]-13-methyltetradecanamide](https://plantaedb.com/storage/docs/compounds/2023/11/f363ba80-8575-11ee-87ab-e3f53576c5f5.jpg "2D Structure of N-[3-[2,6-dibromo-4-[2-[[(2Z)-3-(3-bromo-4-methoxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyl]phenoxy]propyl]-13-methyltetradecanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.04% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.61% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.97% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 96.77% | 90.24% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 96.48% | 85.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 96.21% | 98.75% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 96.00% | 95.92% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 95.72% | 95.34% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 95.54% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.78% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.60% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.76% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.53% | 90.20% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.48% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.36% | 96.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 91.68% | 92.88% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.33% | 94.73% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 89.25% | 96.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.64% | 90.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.44% | 92.98% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.05% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.97% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.73% | 94.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.42% | 92.29% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 86.33% | 89.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.88% | 96.90% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.82% | 97.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.78% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.54% | 93.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.45% | 95.50% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.43% | 97.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.42% | 100.00% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.07% | 93.81% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 101222075 |
| LOTUS | LTS0073099 |
| wikiData | Q105139106 |