purealidin M
| Internal ID | 2c63ec3a-294f-47fe-b935-ecaecfaee069 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (2E)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-(3,5-dibromo-2-hydroxy-4-methoxyphenyl)-2-hydroxyiminopropanamide |
| SMILES (Canonical) | COC1=C(C=C(C(=C1Br)O)CC(=NO)C(=O)NCCC2=CN=C(N2)N)Br |
| SMILES (Isomeric) | COC1=C(C=C(C(=C1Br)O)C/C(=N\O)/C(=O)NCCC2=CN=C(N2)N)Br |
| InChI | InChI=1S/C15H17Br2N5O4/c1-26-13-9(16)4-7(12(23)11(13)17)5-10(22-25)14(24)19-3-2-8-6-20-15(18)21-8/h4,6,23,25H,2-3,5H2,1H3,(H,19,24)(H3,18,20,21)/b22-10+ |
| InChI Key | HVKXCUKPQDFZCX-LSHDLFTRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H17Br2N5O4 |
| Molecular Weight | 491.13 g/mol |
| Exact Mass | 490.96268 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 2.60 |
| (2E)-N-(2-(2-amino-1H-imidazol-5-yl)ethyl)-3-(3,5-dibromo-2-hydroxy-4-methoxyphenyl)-2-hydroxyiminopropanamide |
| (2E)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-(3,5-dibromo-2-hydroxy-4-methoxyphenyl)-2-hydroxyiminopropanamide |
| RefChem:177283 |
| 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 | 98.83% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.35% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 96.54% | 89.34% |
| CHEMBL2535 | P11166 | Glucose transporter | 95.29% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.72% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.67% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.41% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.79% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.63% | 94.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 91.39% | 95.92% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.20% | 90.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 90.98% | 94.42% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.49% | 98.95% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 89.30% | 93.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.20% | 94.73% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 89.19% | 97.53% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.51% | 89.63% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.27% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.69% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.16% | 96.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.00% | 87.45% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.92% | 92.88% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.36% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.36% | 99.23% |
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 | 10368335 |
| LOTUS | LTS0058766 |
| wikiData | Q105034322 |