3-(3,5-Dibromo-4-hydroxyphenyl)-4-(3,5-dibromo-4-methoxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione
| Internal ID | 2c8318f5-6f55-44fb-b668-c47eb9891fa5 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 3-(3,5-dibromo-4-hydroxyphenyl)-4-(3,5-dibromo-4-methoxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H17Br4NO5/c1-35-23-18(28)10-14(11-19(23)29)21-20(13-8-16(26)22(32)17(27)9-13)24(33)30(25(21)34)7-6-12-2-4-15(31)5-3-12/h2-5,8-11,31-32H,6-7H2,1H3 |
| InChI Key | KRCOALHPDSSJGT-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C25H17Br4NO5 |
| Molecular Weight | 731.00 g/mol |
| Exact Mass | 730.77992 g/mol |
| Topological Polar Surface Area (TPSA) | 87.10 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 3-(3,5-Dibromo-4-hydroxyphenyl)-4-(3,5-dibromo-4-methoxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/f4a9e5d0-841c-11ee-ad45-81438c37c2ad.jpg "2D Structure of 3-(3,5-Dibromo-4-hydroxyphenyl)-4-(3,5-dibromo-4-methoxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione")
| 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 | 98.77% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.70% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.58% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.24% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.29% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.12% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.02% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.44% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.59% | 95.17% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 84.86% | 95.34% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.32% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.30% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.03% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.00% | 85.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.42% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.49% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.13% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.08% | 97.21% |
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 | 10259377 |
| LOTUS | LTS0137236 |
| wikiData | Q105144931 |