(2R)-2,3,3-trimethyl-2,9-dihydrofuro[2,3-b]quinolin-4-one

Details

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Internal ID 193154b2-6319-4d40-b680-f831dffe85d6
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Dihydrofuranoquinolines
IUPAC Name (2R)-2,3,3-trimethyl-2,9-dihydrofuro[2,3-b]quinolin-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H15NO2/c1-8-14(2,3)11-12(16)9-6-4-5-7-10(9)15-13(11)17-8/h4-8H,1-3H3,(H,15,16)/t8-/m1/s1
InChI Key TVKLXHLVUCZTKH-MRVPVSSYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C14H15NO2
Molecular Weight 229.27 g/mol
Exact Mass 229.110278721 g/mol
Topological Polar Surface Area (TPSA) 38.30 Ų
XlogP 3.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-2,3,3-trimethyl-2,9-dihydrofuro[2,3-b]quinolin-4-one

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 96.41% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.23% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 93.40% 99.23%
CHEMBL2581 P07339 Cathepsin D 92.63% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 90.39% 94.75%
CHEMBL3310 Q96DB2 Histone deacetylase 11 89.39% 88.56%
CHEMBL5103 Q969S8 Histone deacetylase 10 88.88% 90.08%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.80% 89.00%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 87.14% 94.80%
CHEMBL3401 O75469 Pregnane X receptor 85.00% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.16% 94.45%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.58% 97.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.48% 93.99%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.03% 97.14%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 81.75% 94.23%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.56% 96.09%
CHEMBL3524 P56524 Histone deacetylase 4 81.20% 92.97%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 80.25% 92.67%

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 162866765
LOTUS LTS0042331
wikiData Q105265360