4-(3-Bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one

Details

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Internal ID 3275515d-e275-43e4-91c0-afabf198a600
Taxonomy Benzenoids > Phenols > Halophenols > Bromophenols > O-bromophenols
IUPAC Name 4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H9Br3O4/c18-11-6-9(1-2-14(11)21)10-7-16(22)24-15(10)5-8-3-12(19)17(23)13(20)4-8/h1-7,21,23H
InChI Key OKOHTQUUPAXKQZ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H9Br3O4
Molecular Weight 517.00 g/mol
Exact Mass 515.80305 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 4.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-(3-Bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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 99.41% 91.11%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 95.94% 83.57%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 94.01% 85.30%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 92.85% 98.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.08% 99.15%
CHEMBL2581 P07339 Cathepsin D 91.83% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.73% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.68% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.37% 86.33%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 90.27% 83.10%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.63% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.63% 94.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.45% 90.71%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 83.85% 93.40%
CHEMBL3194 P02766 Transthyretin 83.65% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.36% 99.23%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 82.79% 93.24%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 81.27% 95.53%
CHEMBL1929 P47989 Xanthine dehydrogenase 81.06% 96.12%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 80.08% 80.96%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 85261300
LOTUS LTS0131061
wikiData Q105193662