2,3,3-Trimethyl-2,5-dihydrofuro[3,2-c]quinolin-4-one

Details

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Internal ID 3ebeecbc-14b9-4e32-8ca0-c82153ced1e5
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Dihydrofuranoquinolines
IUPAC Name 2,3,3-trimethyl-2,5-dihydrofuro[3,2-c]quinolin-4-one
SMILES (Canonical) CC1C(C2=C(O1)C3=CC=CC=C3NC2=O)(C)C
SMILES (Isomeric) CC1C(C2=C(O1)C3=CC=CC=C3NC2=O)(C)C
InChI InChI=1S/C14H15NO2/c1-8-14(2,3)11-12(17-8)9-6-4-5-7-10(9)15-13(11)16/h4-8H,1-3H3,(H,15,16)
InChI Key PPZXOPMDXFKQOX-UHFFFAOYSA-N
Popularity 0 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 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,3,3-Trimethyl-2,5-dihydrofuro[3,2-c]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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.75% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.17% 91.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 94.20% 99.23%
CHEMBL2581 P07339 Cathepsin D 89.57% 98.95%
CHEMBL3310 Q96DB2 Histone deacetylase 11 87.20% 88.56%
CHEMBL1937 Q92769 Histone deacetylase 2 86.62% 94.75%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.16% 93.99%
CHEMBL5103 Q969S8 Histone deacetylase 10 85.77% 90.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.49% 96.09%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 84.84% 94.80%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.35% 89.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 84.30% 97.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.94% 94.00%
CHEMBL2535 P11166 Glucose transporter 82.83% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.67% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.56% 85.14%
CHEMBL3401 O75469 Pregnane X receptor 81.94% 94.73%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.88% 97.09%
CHEMBL2717 Q9HCR9 Phosphodiesterase 11A 81.02% 85.00%
CHEMBL1907 P15144 Aminopeptidase N 80.96% 93.31%

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.
Euxylophora paraensis

Cross-Links

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PubChem 162850260
LOTUS LTS0265159
wikiData Q105213121