(2E)-3-(3-bromo-4-methoxyphenyl)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-2-hydroxyiminopropanamide
| Internal ID | 16af5243-98b0-4dae-9367-c3ea63385596 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | (2E)-3-(3-bromo-4-methoxyphenyl)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-2-hydroxyiminopropanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H28Br3N3O4/c1-29(2)9-4-10-33-22-18(25)12-16(13-19(22)26)7-8-27-23(30)20(28-31)14-15-5-6-21(32-3)17(24)11-15/h5-6,11-13,31H,4,7-10,14H2,1-3H3,(H,27,30)/b28-20+ |
| InChI Key | RCOAHKXJTMBQLI-VFCFBJKWSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C23H28Br3N3O4 |
| Molecular Weight | 650.20 g/mol |
| Exact Mass | 648.96094 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 6.20 |
| CHEMBL2062972 |
| aplysamine 2 |
| DTXSID401317884 |
| BDBM50599319 |
| (2E)-3-(3-bromo-4-methoxyphenyl)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-2-hydroxyiminopropanamide |
| 172486-24-7 |
| Q15410272 |
![2D Structure of (2E)-3-(3-bromo-4-methoxyphenyl)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-2-hydroxyiminopropanamide](https://plantaedb.com/storage/docs/compounds/2023/11/aplysamine-2.jpg "2D Structure of (2E)-3-(3-bromo-4-methoxyphenyl)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-2-hydroxyiminopropanamide")
| 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 | 97.49% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.13% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.98% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.96% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.87% | 94.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.52% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.78% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.23% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.01% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.71% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.20% | 94.73% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.05% | 85.31% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.08% | 96.90% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.52% | 91.11% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.85% | 87.45% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 82.91% | 95.92% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.50% | 90.24% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.76% | 83.82% |
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 | 6399301 |
| LOTUS | LTS0023654 |
| wikiData | Q105233830 |