2-(2-Heptenyl)-3-methyl-4-quinolinol

Details

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Internal ID d0186836-3fac-4775-b1c2-603eab332921
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones
IUPAC Name 2-hept-2-enyl-3-methyl-1H-quinolin-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H21NO/c1-3-4-5-6-7-11-15-13(2)17(19)14-10-8-9-12-16(14)18-15/h6-10,12H,3-5,11H2,1-2H3,(H,18,19)
InChI Key IUTFNOOGPQDULV-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C17H21NO
Molecular Weight 255.35 g/mol
Exact Mass 255.162314293 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 4.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(2-Heptenyl)-3-methyl-4-quinolinol

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 97.56% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.57% 95.56%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.69% 92.08%
CHEMBL1781 P11387 DNA topoisomerase I 90.62% 97.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.14% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 87.56% 94.73%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 86.88% 85.94%
CHEMBL5103 Q969S8 Histone deacetylase 10 86.70% 90.08%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 86.56% 91.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.63% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.20% 99.17%
CHEMBL255 P29275 Adenosine A2b receptor 84.69% 98.59%
CHEMBL3310 Q96DB2 Histone deacetylase 11 84.48% 88.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.23% 99.23%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.17% 93.99%
CHEMBL1937 Q92769 Histone deacetylase 2 84.09% 94.75%
CHEMBL240 Q12809 HERG 83.17% 89.76%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 83.16% 91.81%
CHEMBL5979 P05186 Alkaline phosphatase, tissue-nonspecific isozyme 81.67% 85.40%
CHEMBL1907 P15144 Aminopeptidase N 81.40% 93.31%
CHEMBL2717 Q9HCR9 Phosphodiesterase 11A 80.93% 85.00%
CHEMBL2535 P11166 Glucose transporter 80.88% 98.75%

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.
There are no matching plants.

Cross-Links

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PubChem 367484
LOTUS LTS0086173
wikiData Q105120818