2,3,5-Tribromo-6-(2,4-dibromophenoxy)phenol
| Internal ID | 4da5a7d0-e39e-4363-8adf-484b1c2d9a00 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylethers > Bromodiphenyl ethers |
| IUPAC Name | 2,3,5-tribromo-6-(2,4-dibromophenoxy)phenol |
| SMILES (Canonical) | C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)O |
| InChI | InChI=1S/C12H5Br5O2/c13-5-1-2-9(6(14)3-5)19-12-8(16)4-7(15)10(17)11(12)18/h1-4,18H |
| InChI Key | DQWSPMONGKASSJ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C12H5Br5O2 |
| Molecular Weight | 580.70 g/mol |
| Exact Mass | 579.61654 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 6.60 |
| 297742-10-0 |
| Phenol, 2,3,5-tribromo-6-(2,4-dibromophenoxy)- |
| 2,3,5-Tribromo-6-(2,4-dibromophenoxy)phenol |
| 6-OH-BDE-99 |
| DTXSID40616008 |
| BDBM50480590 |
| 6-hydroxy-2,2',4,4',5-pentabromodiphenylether |
| 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 |
|---|---|---|---|---|
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 94.67% | 83.57% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.33% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 92.18% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.83% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.53% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.52% | 89.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.78% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 84.06% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.53% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.36% | 90.00% |
| CHEMBL4617 | P11086 | Phenylethanolamine N-methyltransferase | 80.67% | 81.00% |
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.
To see more specific details click the taxa you are interested in.
| Achillea leptophylla |
| Aldama cordifolia |
| Cordiera macrophylla |
| Dioscorea futschauensis |
| Dorstenia barnimiana |
| Petrosedum forsterianum |
| Rubia yunnanensis |
| Uvaria mocoli |
| Verbascum georgicum |
| Zieria chevalieri |
| PubChem | 21576164 |
| NPASS | NPC175520 |
| ChEMBL | CHEMBL402539 |
| LOTUS | LTS0103178 |
| wikiData | Q82517780 |