4'-((3,4,5-tribromo-1H-pyrrol-2-yl)methyl)phenol
| Internal ID | 0dfb2fe8-0a82-4505-9a40-402198892450 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | 4-[(3,4,5-tribromo-1H-pyrrol-2-yl)methyl]phenol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H8Br3NO/c12-9-8(15-11(14)10(9)13)5-6-1-3-7(16)4-2-6/h1-4,15-16H,5H2 |
| InChI Key | WFENRQKTALRFAD-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C11H8Br3NO |
| Molecular Weight | 409.90 g/mol |
| Exact Mass | 408.81355 g/mol |
| Topological Polar Surface Area (TPSA) | 36.00 Ų |
| XlogP | 4.70 |
| 4-((3,4,5-tribromo-1h-pyrrol-2-yl) methyl)phenol |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.69% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.97% | 91.71% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 88.73% | 85.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.32% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.12% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.42% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.33% | 95.56% |
| CHEMBL1952 | P04818 | Thymidylate synthase | 84.30% | 93.53% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.52% | 98.95% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.20% | 90.93% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.62% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.44% | 94.00% |
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 | 129850874 |
| LOTUS | LTS0174914 |
| wikiData | Q77567061 |