3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid
| Internal ID | db65c32c-5ac1-482a-bc75-8f04a3ceb4b1 |
| Taxonomy | Benzenoids > Phenols > Nitrophenols > Dinitrophenols |
| IUPAC Name | 3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid |
| SMILES (Canonical) | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CCC(=O)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CCC(=O)O |
| InChI | InChI=1S/C9H8N2O7/c12-8(13)2-1-5-3-6(10(15)16)9(14)7(4-5)11(17)18/h3-4,14H,1-2H2,(H,12,13) |
| InChI Key | NZNKSEVNZBZPCJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C9H8N2O7 |
| Molecular Weight | 256.17 g/mol |
| Exact Mass | 256.03315060 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 1.50 |
| 108302-82-5 |
| Benzenepropanoic acid,4-hydroxy-3,5-dinitro- |
| 3-(3,5-DINITRO-4-HYDROXYPHENYL)*PROPIONI C ACID |
| NSC151084 |
| 3-(4-Hydroxy-3,5-dinitrophenyl)propionic acid |
| SCHEMBL7820506 |
| DTXSID10302461 |
| NZNKSEVNZBZPCJ-UHFFFAOYSA-N |
| NSC-151084 |
| (4-Hydroxy-3,5-dinitrophenyl)propionic acid |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 96.42% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.02% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.55% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.71% | 90.20% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.74% | 91.11% |
| CHEMBL5847 | P52895 | Aldo-keto reductase family 1 member C2 | 83.69% | 92.50% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 82.85% | 93.81% |
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 | 289352 |
| LOTUS | LTS0074425 |
| wikiData | Q82047249 |