3-Bromo-4-methoxyphenylacetonitrile
| Internal ID | 492babe1-3d42-45e1-8e80-42fcdcd2c308 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzyl cyanides |
| IUPAC Name | 2-(3-bromo-4-methoxyphenyl)acetonitrile |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H8BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3 |
| InChI Key | OBJKHHRZMIIEOK-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.07 g/mol |
| Exact Mass | 224.97893 g/mol |
| Topological Polar Surface Area (TPSA) | 33.00 Ų |
| XlogP | 1.90 |
| 772-59-8 |
| 2-(3-bromo-4-methoxyphenyl)acetonitrile |
| 3-Bromo-4-methoxybenzyl Cyanide |
| MFCD00016391 |
| Benzeneacetonitrile, 3-bromo-4-methoxy- |
| SCHEMBL150589 |
| DTXSID90335030 |
| AKOS009156590 |
| Benzeneacetonitrile,3-bromo-4-methoxy- |
| FS-1521 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.38% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.16% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.16% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.70% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.94% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.10% | 94.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.09% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.29% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.26% | 90.20% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.16% | 89.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.72% | 95.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.99% | 90.24% |
| CHEMBL2487 | P05067 | Beta amyloid A4 protein | 80.88% | 96.74% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.71% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.34% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.11% | 96.43% |
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 | 522655 |
| LOTUS | LTS0085734 |
| wikiData | Q82101138 |