11-Methoxy-3,3-dimethyl-3h-furo[2,3-b]pyrano[3,2-f]quinoline

Details

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Internal ID de8fe1d4-9f64-425b-bb04-c532538f45c2
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromenopyridines
IUPAC Name 17-methoxy-5,5-dimethyl-6,13-dioxa-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,8,11,14,16-heptaene
SMILES (Canonical) CC1(C=CC2=C(O1)C=CC3=C2C(=C4C=COC4=N3)OC)C
SMILES (Isomeric) CC1(C=CC2=C(O1)C=CC3=C2C(=C4C=COC4=N3)OC)C
InChI InChI=1S/C17H15NO3/c1-17(2)8-6-10-13(21-17)5-4-12-14(10)15(19-3)11-7-9-20-16(11)18-12/h4-9H,1-3H3
InChI Key WVBLHNOAFTUBSS-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H15NO3
Molecular Weight 281.30 g/mol
Exact Mass 281.10519334 g/mol
Topological Polar Surface Area (TPSA) 44.50 Ų
XlogP 3.80

Synonyms

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NSC103009
11-methoxy-3,3-dimethyl-3h-furo[2,3-b]pyrano[3,2-f]quinoline
NCIOpen2_007095
DTXSID00295550
NSC-103009

2D Structure

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2D Structure of 11-Methoxy-3,3-dimethyl-3h-furo[2,3-b]pyrano[3,2-f]quinoline

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 97.49% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.86% 91.11%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 93.14% 85.30%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.16% 94.00%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 89.35% 80.96%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.17% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.98% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.03% 96.00%
CHEMBL235 P37231 Peroxisome proliferator-activated receptor gamma 86.00% 95.39%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 85.74% 89.44%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 85.53% 94.03%
CHEMBL5747 Q92793 CREB-binding protein 83.85% 95.12%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.68% 86.33%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 83.40% 96.67%
CHEMBL290 Q13370 Phosphodiesterase 3B 83.06% 94.00%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 83.01% 100.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.89% 99.23%
CHEMBL2581 P07339 Cathepsin D 82.28% 98.95%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 81.11% 85.49%
CHEMBL3401 O75469 Pregnane X receptor 80.50% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.44% 95.56%
CHEMBL1937 Q92769 Histone deacetylase 2 80.33% 94.75%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 266041
LOTUS LTS0073539
wikiData Q82035526