2-Heptyl-3-hydroxy-4-quinolone

Details

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Internal ID afc8c644-c3d5-44ab-96d6-4ade100104d5
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroxyquinolones
IUPAC Name 2-heptyl-3-hydroxy-1H-quinolin-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18)
InChI Key CEIUIHOQDSVZJQ-UHFFFAOYSA-N
Popularity 418 references in papers

Physical and Chemical Properties

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Molecular Formula C16H21NO2
Molecular Weight 259.34 g/mol
Exact Mass 259.157228913 g/mol
Topological Polar Surface Area (TPSA) 49.30 Ų
XlogP 4.70

Synonyms

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2-heptyl-3-hydroxy-1H-quinolin-4-one
2-heptyl-3-hydroxy-4(1H)-quinolone
2-Heptyl-3-hydroxy-quinolone
Pseudomonas quinolone signal
2-Heptyl-3-hydroxyl-4-quinolone
2-HEPTYLQUINOLINE-3,4-DIOL
PQS
CHEMBL2426244
CHEBI:29472
4(1H)-Quinolinone, 2-heptyl-3-hydroxy-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-Heptyl-3-hydroxy-4-quinolone

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 99.08% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.09% 91.11%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 95.59% 92.08%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.55% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 94.04% 91.49%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.27% 93.99%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.07% 96.09%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 90.80% 85.94%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.33% 99.23%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 90.06% 91.71%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 88.36% 91.81%
CHEMBL5979 P05186 Alkaline phosphatase, tissue-nonspecific isozyme 87.45% 85.40%
CHEMBL2885 P07451 Carbonic anhydrase III 87.44% 87.45%
CHEMBL3401 O75469 Pregnane X receptor 85.50% 94.73%
CHEMBL2002 P12268 Inosine-5'-monophosphate dehydrogenase 2 84.06% 98.21%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.61% 89.00%
CHEMBL3004 P33527 Multidrug resistance-associated protein 1 83.53% 96.37%
CHEMBL1907 P15144 Aminopeptidase N 83.52% 93.31%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.94% 99.17%
CHEMBL1937 Q92769 Histone deacetylase 2 82.83% 94.75%
CHEMBL1781 P11387 DNA topoisomerase I 82.16% 97.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.98% 94.45%
CHEMBL5103 Q969S8 Histone deacetylase 10 80.75% 90.08%
CHEMBL2535 P11166 Glucose transporter 80.19% 98.75%
CHEMBL255 P29275 Adenosine A2b receptor 80.05% 98.59%

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 2763159
LOTUS LTS0221696
wikiData Q27110090