6-(3,4-Dimethoxyphenyl)benzo[f][2,7]naphthyridin-4-one

Details

Top
Internal ID dcf139f0-ec1c-4e68-9c20-8f1d80c3f0be
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines
IUPAC Name 6-(3,4-dimethoxyphenyl)benzo[f][2,7]naphthyridin-4-one
SMILES (Canonical) COC1=C(C=C(C=C1)N2C=C3C(=CC=NC3=O)C4=CC=CC=C42)OC
SMILES (Isomeric) COC1=C(C=C(C=C1)N2C=C3C(=CC=NC3=O)C4=CC=CC=C42)OC
InChI InChI=1S/C20H16N2O3/c1-24-18-8-7-13(11-19(18)25-2)22-12-16-14(9-10-21-20(16)23)15-5-3-4-6-17(15)22/h3-12H,1-2H3
InChI Key OWAVOYPOZCUWDT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C20H16N2O3
Molecular Weight 332.40 g/mol
Exact Mass 332.11609238 g/mol
Topological Polar Surface Area (TPSA) 51.10 Ų
XlogP 2.50

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 6-(3,4-Dimethoxyphenyl)benzo[f][2,7]naphthyridin-4-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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.30% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.88% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.27% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.85% 86.33%
CHEMBL2581 P07339 Cathepsin D 94.34% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.57% 94.00%
CHEMBL2535 P11166 Glucose transporter 92.49% 98.75%
CHEMBL1951 P21397 Monoamine oxidase A 92.22% 91.49%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 92.15% 96.47%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 91.30% 90.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.09% 89.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 88.06% 89.62%
CHEMBL2094121 P14867 GABA-A receptor; alpha-1/beta-3/gamma-2 87.61% 95.50%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 87.54% 96.67%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.34% 93.99%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 86.45% 97.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.46% 96.00%
CHEMBL1899 P46098 Serotonin 3a (5-HT3a) receptor 84.82% 100.00%
CHEMBL1937 Q92769 Histone deacetylase 2 84.21% 94.75%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 83.89% 92.38%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.14% 99.23%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 82.82% 93.65%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 82.75% 96.00%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.55% 100.00%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 82.02% 92.67%
CHEMBL5903 Q04771 Activin receptor type-1 81.27% 89.93%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 80.69% 95.83%

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.
Festuca arundinacea
Festuca pratensis

Cross-Links

Top
PubChem 420115
LOTUS LTS0124418
wikiData Q104387204