Purpureamine J
| Internal ID | bcd89358-b206-42fb-a0b2-7df41876a37d |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | 3-[2,6-dibromo-4-[2-[[(2E)-3-(3-bromo-4-methoxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyl]phenoxy]-N,N-dimethylpropan-1-amine oxide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H28Br3N3O5/c1-29(2,32)9-4-10-34-22-18(25)12-16(13-19(22)26)7-8-27-23(30)20(28-31)14-15-5-6-21(33-3)17(24)11-15/h5-6,11-13,31H,4,7-10,14H2,1-3H3,(H,27,30)/b28-20+ |
| InChI Key | FRLHXVVWMAEBOU-VFCFBJKWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H28Br3N3O5 |
| Molecular Weight | 666.20 g/mol |
| Exact Mass | 664.95586 g/mol |
| Topological Polar Surface Area (TPSA) | 98.20 Ų |
| XlogP | 5.60 |
| CHEMBL464284 |
| 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 | 97.12% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.07% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.07% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.78% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.31% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.27% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.04% | 86.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.20% | 92.88% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.74% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.12% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.47% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.16% | 96.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.88% | 92.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.66% | 94.73% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.19% | 90.20% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.39% | 91.11% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 84.14% | 94.01% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.07% | 96.90% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.05% | 90.24% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.08% | 95.34% |
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.
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| There are no matching plants. |
| PubChem | 6400896 |
| LOTUS | LTS0074542 |
| wikiData | Q105000241 |