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

Details

Top
Internal ID 66c2dd6c-4416-4f0a-9637-5d1f80d7b1b4
Taxonomy Benzenoids > Phenols > Halophenols > Bromophenols > O-bromophenols
IUPAC Name (5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H10Br2O4/c18-13-5-9(6-14(19)17(13)22)7-15-12(8-16(21)23-15)10-1-3-11(20)4-2-10/h1-8,20,22H/b15-7-
InChI Key PRKUARCLWYBVAL-CHHVJCJISA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C17H10Br2O4
Molecular Weight 438.10 g/mol
Exact Mass 437.89253 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 4.20

Synonyms

Top
There are no found synonyms.

2D Structure

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

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

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 98.76% 91.11%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 97.90% 83.57%
CHEMBL2581 P07339 Cathepsin D 92.79% 98.95%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 91.41% 93.24%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.07% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.94% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.98% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.87% 94.45%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 87.17% 90.93%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.94% 94.00%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 86.38% 83.10%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.68% 90.71%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.37% 99.15%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.18% 99.23%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 82.07% 95.53%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.71% 91.71%
CHEMBL242 Q92731 Estrogen receptor beta 81.46% 98.35%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.39% 99.17%
CHEMBL3194 P02766 Transthyretin 80.40% 90.71%

Plants that contains it

Top
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.
There are no matching plants.

Cross-Links

Top
PubChem 11112944
LOTUS LTS0240915
wikiData Q105213787