Furo(2,3-b)quinolin-4(9H)-one, 9-ethyl-7-methoxy-

Details

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Internal ID f0624fb4-9c3b-4dc6-8665-94c6b34ff9f4
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Furanoquinolines
IUPAC Name 9-ethyl-7-methoxyfuro[2,3-b]quinolin-4-one
SMILES (Canonical) CCN1C2=C(C=CC(=C2)OC)C(=O)C3=C1OC=C3
SMILES (Isomeric) CCN1C2=C(C=CC(=C2)OC)C(=O)C3=C1OC=C3
InChI InChI=1S/C14H13NO3/c1-3-15-12-8-9(17-2)4-5-10(12)13(16)11-6-7-18-14(11)15/h4-8H,3H2,1-2H3
InChI Key NTWKCDCNZLHNHW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H13NO3
Molecular Weight 243.26 g/mol
Exact Mass 243.08954328 g/mol
Topological Polar Surface Area (TPSA) 42.70 Ų
XlogP 2.90

Synonyms

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79808-96-1
DTXSID50229926

2D Structure

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2D Structure of Furo(2,3-b)quinolin-4(9H)-one, 9-ethyl-7-methoxy-

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
CHEMBL255 P29275 Adenosine A2b receptor 94.57% 98.59%
CHEMBL2581 P07339 Cathepsin D 94.20% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 92.40% 93.99%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.20% 94.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.84% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.76% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.77% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.51% 86.33%
CHEMBL1907 P15144 Aminopeptidase N 87.14% 93.31%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 86.81% 93.65%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.46% 96.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 84.42% 92.62%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.00% 89.00%
CHEMBL4208 P20618 Proteasome component C5 82.75% 90.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.28% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.24% 85.14%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 80.47% 94.42%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.30% 99.17%

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.
Ruta chalepensis

Cross-Links

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PubChem 157583
LOTUS LTS0156184
wikiData Q83110299