3,4-Dibromo-5-[(2-bromo-3,4-dihydroxy-6-methoxyphenyl)methyl]benzene-1,2-diol
| Internal ID | 0df5379f-d890-4ab4-b0f2-43a466c1417e |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylmethanes |
| IUPAC Name | 3,4-dibromo-5-[(2-bromo-3,4-dihydroxy-6-methoxyphenyl)methyl]benzene-1,2-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H11Br3O5/c1-22-9-4-8(19)13(20)11(16)6(9)2-5-3-7(18)14(21)12(17)10(5)15/h3-4,18-21H,2H2,1H3 |
| InChI Key | WFSYQFGCTUZIIG-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C14H11Br3O5 |
| Molecular Weight | 498.95 g/mol |
| Exact Mass | 497.81361 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 3,4-Dibromo-5-[(2-bromo-3,4-dihydroxy-6-methoxyphenyl)methyl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/34-dibromo-5-2-bromo-34-dihydroxy-6-methoxyphenylmethylbenzene-12-diol.jpg "2D Structure of 3,4-Dibromo-5-[(2-bromo-3,4-dihydroxy-6-methoxyphenyl)methyl]benzene-1,2-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.12% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.16% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.20% | 93.99% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.86% | 95.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.65% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.77% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.21% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.15% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.97% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.89% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.26% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.03% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.22% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.44% | 98.95% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 82.31% | 98.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.84% | 96.95% |
| CHEMBL3194 | P02766 | Transthyretin | 80.95% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.80% | 94.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.56% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.09% | 96.00% |
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 | 102580524 |
| LOTUS | LTS0236007 |
| wikiData | Q105304184 |