4,6-dibromo-3-ethenyl-3-hydroxy-1H-indol-2-one

Details

Top
Internal ID 7aca3ef2-ed02-4acc-8f44-294ec10db832
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indolines
IUPAC Name 4,6-dibromo-3-ethenyl-3-hydroxy-1H-indol-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H7Br2NO2/c1-2-10(15)8-6(12)3-5(11)4-7(8)13-9(10)14/h2-4,15H,1H2,(H,13,14)
InChI Key AVHAKOWHSZDRDN-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C10H7Br2NO2
Molecular Weight 332.98 g/mol
Exact Mass 332.88230 g/mol
Topological Polar Surface Area (TPSA) 49.30 Ų
XlogP 2.20

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 4,6-dibromo-3-ethenyl-3-hydroxy-1H-indol-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 94.44% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.99% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.36% 94.45%
CHEMBL1937 Q92769 Histone deacetylase 2 88.60% 94.75%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 87.76% 93.03%
CHEMBL2581 P07339 Cathepsin D 86.93% 98.95%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 85.43% 85.30%
CHEMBL4208 P20618 Proteasome component C5 81.76% 90.00%
CHEMBL4530 P00488 Coagulation factor XIII 81.18% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.49% 86.33%

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 10314750
LOTUS LTS0053815
wikiData Q104919498