4,6,2',4',6'-Pentabromo-3,3'-dihydroxy-5,5'-dimethyldiphenyl Ether
| Internal ID | 3d6d4810-091d-4a40-9794-c4791a6dbb86 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylethers > Bromodiphenyl ethers |
| IUPAC Name | 2,4,6-tribromo-3-(2,4-dibromo-5-hydroxy-3-methylphenoxy)-5-methylphenol |
| SMILES (Canonical) | CC1=C(C(=CC(=C1Br)OC2=C(C(=C(C(=C2Br)O)Br)C)Br)O)Br |
| SMILES (Isomeric) | CC1=C(C(=CC(=C1Br)OC2=C(C(=C(C(=C2Br)O)Br)C)Br)O)Br |
| InChI | InChI=1S/C14H9Br5O3/c1-4-8(15)6(20)3-7(9(4)16)22-14-11(18)5(2)10(17)13(21)12(14)19/h3,20-21H,1-2H3 |
| InChI Key | YXUBHCXJJUTWOH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H9Br5O3 |
| Molecular Weight | 624.70 g/mol |
| Exact Mass | 623.64276 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
| 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 | 92.56% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.04% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.82% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.80% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.48% | 90.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 88.81% | 83.57% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.10% | 98.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 87.14% | 93.65% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.92% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.37% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.70% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.56% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.65% | 99.17% |
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 | 139584078 |
| LOTUS | LTS0076215 |
| wikiData | Q77279408 |