4-Hydroxy-3-methoxy-1-methylquinolin-2(1H)-one

Details

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Internal ID 73a68dd2-46c8-41db-81db-3a98ddaec4bd
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroxyquinolones
IUPAC Name 4-hydroxy-3-methoxy-1-methylquinolin-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H11NO3/c1-12-8-6-4-3-5-7(8)9(13)10(15-2)11(12)14/h3-6,13H,1-2H3
InChI Key UYDLHTOWSNBXTM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C11H11NO3
Molecular Weight 205.21 g/mol
Exact Mass 205.07389321 g/mol
Topological Polar Surface Area (TPSA) 49.80 Ų
XlogP 1.10

Synonyms

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90061-39-5
4-HYDROXY-3-METHOXY-1-METHYLQUINOLIN-2-ONE
SCHEMBL5741498
DTXSID90716284
SB70017

2D Structure

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2D Structure of 4-Hydroxy-3-methoxy-1-methylquinolin-2(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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 98.22% 95.56%
CHEMBL2581 P07339 Cathepsin D 96.08% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.46% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.99% 91.11%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 90.54% 80.78%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.45% 93.99%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.24% 94.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.27% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.05% 86.33%
CHEMBL1951 P21397 Monoamine oxidase A 87.86% 91.49%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.63% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.94% 99.23%
CHEMBL1899 P46098 Serotonin 3a (5-HT3a) receptor 85.15% 100.00%
CHEMBL2056 P21728 Dopamine D1 receptor 81.01% 91.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.01% 93.65%

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 54723909
LOTUS LTS0051802
wikiData Q82653765