Aqabamycin E2
| Internal ID | bab4342c-2407-49c1-ba3a-426024f38d50 |
| Taxonomy | Organoheterocyclic compounds > Pyrroles > Substituted pyrroles > Phenylpyrroles |
| IUPAC Name | 4-(4-hydroxy-3-nitrophenyl)-5-nitroso-3-phenyl-1H-pyrrol-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H11N3O5/c20-12-7-6-10(8-11(12)19(23)24)13-14(9-4-2-1-3-5-9)16(21)17-15(13)18-22/h1-8,17,20-21H |
| InChI Key | NMMDNCZQLOFGES-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H11N3O5 |
| Molecular Weight | 325.27 g/mol |
| Exact Mass | 325.06987046 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 3.80 |
| 4-(4-hydroxy-3-nitrophenyl)-5-nitroso-3-phenyl-1H-pyrrol-2-ol |
| RefChem:113587 |
| CHEMBL4283092 |
| CHEBI:197541 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.21% | 98.95% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 94.94% | 95.72% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.98% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.84% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.14% | 86.92% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.07% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.86% | 99.15% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.32% | 90.17% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 88.21% | 93.81% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.20% | 91.71% |
| CHEMBL2104 | Q99571 | P2X purinoceptor 4 | 83.91% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.88% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.56% | 94.62% |
| CHEMBL3769292 | Q9H773 | dCTP pyrophosphatase 1 | 81.77% | 94.40% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.13% | 90.20% |
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 | 135936861 |
| LOTUS | LTS0075187 |
| wikiData | Q76430902 |