2-Propylquinolin-4-ol

Details

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Internal ID 98fe9385-08a1-4e9a-8c07-041f94527fd1
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones
IUPAC Name 2-propyl-1H-quinolin-4-one
SMILES (Canonical) CCCC1=CC(=O)C2=CC=CC=C2N1
SMILES (Isomeric) CCCC1=CC(=O)C2=CC=CC=C2N1
InChI InChI=1S/C12H13NO/c1-2-5-9-8-12(14)10-6-3-4-7-11(10)13-9/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChI Key ASGOXASWRFTXHV-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C12H13NO
Molecular Weight 187.24 g/mol
Exact Mass 187.099714038 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 2.70

Synonyms

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83842-64-2
4-Hydroxy-2-propylquinoline
2-PROPYL-4-QUINOLINOL
18813-67-7
2-Propylquinolin-4(1H)-one
2-PROPYL-1H-QUINOLIN-4-ONE
2-Propyl-4(1h)-quinolinone
SCHEMBL1388040
SCHEMBL4769993
SCHEMBL7420683
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-Propylquinolin-4-ol

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 98.17% 98.95%
CHEMBL255 P29275 Adenosine A2b receptor 95.33% 98.59%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.90% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.71% 95.56%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 91.87% 91.71%
CHEMBL1907 P15144 Aminopeptidase N 88.63% 93.31%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.05% 93.99%
CHEMBL2535 P11166 Glucose transporter 86.75% 98.75%
CHEMBL2717 Q9HCR9 Phosphodiesterase 11A 84.94% 85.00%
CHEMBL3401 O75469 Pregnane X receptor 84.03% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.36% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.49% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.67% 89.00%
CHEMBL1781 P11387 DNA topoisomerase I 81.10% 97.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.34% 94.45%

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.
Boronia ternata

Cross-Links

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PubChem 12798219
LOTUS LTS0196535
wikiData Q104917813