Molecule

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

AlkaPlorer ID: AK004300

Synonym: None

IUPAC Name: 4-hydroxy-3-methyl-1H-quinolin-2-one

SMILES: CC1=C(C2=CC=CC=C2NC1=O)O

InChI: InChI=1S/C10H9NO2/c1-6-9(12)7-4-2-3-5-8(7)11-10(6)13/h2-5H,1H3,(H2,11,12,13)

InChIKey: UQAOPJGHDFCPDK-UHFFFAOYSA-N

PubChem CID: 54678416

CAS: 1873-59-2

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Isatis tinctoria	Isatis	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Penicillium sp.	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Molecule Weight: 175.18699999999995

TPSA？: 53.09

MolLogP？: 1.5421199999999997

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	MRC5	CC50	84700.0	nM	10.1016/j.ejmech.2017.06.061
Mycobacterium avium	Mycobacterium avium	MIC90	14500.0	nM	10.1016/j.ejmech.2017.06.061
Mycobacterium avium	Mycobacterium avium	MIC90	18400.0	nM	10.1016/j.ejmech.2017.06.061
Mycobacterium tuberculosis	Mycobacterium tuberculosis	GI	43.6	%	10.1016/j.ejmech.2017.06.061
Mycobacterium tuberculosis	Mycobacterium tuberculosis	GI	46.6	%	10.1016/j.ejmech.2017.06.061
Mycobacterium tuberculosis	Mycobacterium tuberculosis	GI	55.5	%	10.1016/j.ejmech.2017.06.061
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC90	6800.0	nM	10.1016/j.ejmech.2017.06.061
Mycobacterium tuberculosis variant bovis	Mycobacterium tuberculosis variant bovis	MIC90	9500.0	nM	10.1016/j.ejmech.2017.06.061
Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	MIC90	23200.0	nM	10.1016/j.ejmech.2017.06.061
Salmonella enterica subsp. enterica serovar Typhimurium	Salmonella typhimurium	Activity	nan	None	10.1016/j.ejmech.2017.06.061
None	ADMET	TI	12.5	None	10.1016/j.ejmech.2017.06.061