4-Carboethoxy-6-hydroxy-2-quinolone

Details

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Internal ID 035a059b-b84f-41dc-80b0-9df5f52d8c38
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Hydroxyquinolines
IUPAC Name ethyl 6-hydroxy-2-oxo-1H-quinoline-4-carboxylate
SMILES (Canonical) CCOC(=O)C1=CC(=O)NC2=C1C=C(C=C2)O
SMILES (Isomeric) CCOC(=O)C1=CC(=O)NC2=C1C=C(C=C2)O
InChI InChI=1S/C12H11NO4/c1-2-17-12(16)9-6-11(15)13-10-4-3-7(14)5-8(9)10/h3-6,14H,2H2,1H3,(H,13,15)
InChI Key JUIAGYWZMGGONG-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C12H11NO4
Molecular Weight 233.22 g/mol
Exact Mass 233.06880783 g/mol
Topological Polar Surface Area (TPSA) 75.60 Ų
XlogP 0.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-Carboethoxy-6-hydroxy-2-quinolone

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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.19% 94.45%
CHEMBL2581 P07339 Cathepsin D 94.69% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.40% 96.09%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 93.33% 91.71%
CHEMBL2535 P11166 Glucose transporter 92.78% 98.75%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 90.51% 93.24%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.17% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.74% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.67% 94.00%
CHEMBL1937 Q92769 Histone deacetylase 2 85.44% 94.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.43% 99.17%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.09% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.98% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.81% 89.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.00% 97.21%

Plants that contains it

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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.
Oryza sativa

Cross-Links

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PubChem 102321772
LOTUS LTS0119931
wikiData Q105135248