(E)-2-(non-2-en-1-yl)quinolin-4(1H)-one

Details

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Internal ID a88d2fea-9c15-455a-8188-c204b2d1ce17
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones
IUPAC Name 2-[(E)-non-2-enyl]-1H-quinolin-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H23NO/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19-15/h7-10,12-14H,2-6,11H2,1H3,(H,19,20)/b8-7+
InChI Key OLHDQSVEEMQKAE-BQYQJAHWSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C18H23NO
Molecular Weight 269.40 g/mol
Exact Mass 269.177964357 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 5.50

Synonyms

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CHEMBL4797651
(E)-2-(non-2-en-1-yl)quinolin-4(1H)-one
(e)-2-(non-2-en-1-yl) quinolin-4(1h)-one

2D Structure

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2D Structure of (E)-2-(non-2-en-1-yl)quinolin-4(1H)-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
CHEMBL2581 P07339 Cathepsin D 98.84% 98.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 97.70% 92.08%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.79% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.88% 95.56%
CHEMBL1781 P11387 DNA topoisomerase I 95.00% 97.00%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 94.75% 91.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.08% 99.17%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 93.89% 91.81%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.19% 93.99%
CHEMBL240 Q12809 HERG 91.40% 89.76%
CHEMBL230 P35354 Cyclooxygenase-2 89.08% 89.63%
CHEMBL1907 P15144 Aminopeptidase N 88.75% 93.31%
CHEMBL3401 O75469 Pregnane X receptor 88.28% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.77% 94.45%
CHEMBL255 P29275 Adenosine A2b receptor 86.61% 98.59%
CHEMBL2535 P11166 Glucose transporter 83.78% 98.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.10% 89.00%
CHEMBL2717 Q9HCR9 Phosphodiesterase 11A 82.05% 85.00%
CHEMBL3524 P56524 Histone deacetylase 4 81.14% 92.97%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.31% 96.09%

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 70272795
LOTUS LTS0183205
wikiData Q105193981