1-(4-Methoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbut-3-en-2-ol

Details

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Internal ID ead6668d-1036-4ba7-b6de-2ad00dfcc073
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Furanoquinolines
IUPAC Name 1-(4-methoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbut-3-en-2-ol
SMILES (Canonical) CC(=C)C(COC1=CC2=C(C=C1)C(=C3C=COC3=N2)OC)O
SMILES (Isomeric) CC(=C)C(COC1=CC2=C(C=C1)C(=C3C=COC3=N2)OC)O
InChI InChI=1S/C17H17NO4/c1-10(2)15(19)9-22-11-4-5-12-14(8-11)18-17-13(6-7-21-17)16(12)20-3/h4-8,15,19H,1,9H2,2-3H3
InChI Key LLQDFWJDFRTFGW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H17NO4
Molecular Weight 299.32 g/mol
Exact Mass 299.11575802 g/mol
Topological Polar Surface Area (TPSA) 64.70 Ų
XlogP 3.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-(4-Methoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbut-3-en-2-ol

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.82% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.91% 94.00%
CHEMBL1951 P21397 Monoamine oxidase A 94.42% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.08% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.61% 85.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.13% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.06% 96.00%
CHEMBL5747 Q92793 CREB-binding protein 90.40% 95.12%
CHEMBL3401 O75469 Pregnane X receptor 88.08% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.92% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.51% 94.45%
CHEMBL2581 P07339 Cathepsin D 86.42% 98.95%
CHEMBL235 P37231 Peroxisome proliferator-activated receptor gamma 86.25% 95.39%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 85.85% 92.68%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 85.59% 95.83%
CHEMBL1907 P15144 Aminopeptidase N 84.82% 93.31%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.32% 99.15%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 83.97% 93.65%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.61% 92.62%
CHEMBL2535 P11166 Glucose transporter 83.29% 98.75%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 82.72% 96.67%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.51% 100.00%
CHEMBL3902 P09211 Glutathione S-transferase Pi 80.78% 93.81%
CHEMBL4208 P20618 Proteasome component C5 80.56% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.47% 95.56%

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.
Melicope semecarpifolia

Cross-Links

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PubChem 10402471
LOTUS LTS0200513
wikiData Q105153665