Molecule

3-methyl-2-[(2E)-non-2-en-1-yl]-1,4-dihydroquinolin-4-one

AlkaPlorer ID: AK569324

Synonym: None

IUPAC Name: 3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one

Structure

SMILES: CCCCCC/C=C/CC1=C(C)C(=O)C2=CC=CC=C2N1

InChI: InChI=1S/C19H25NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h8-12,14H,3-7,13H2,1-2H3,(H,20,21)/b9-8+

InChIKey: XICKFFMQHHMRFO-CMDGGOBGSA-N

Reference

Production of antibiotics by Pseudomonas cepacia as an agent for biological control of soilborne plant pathogens

PubChem CID: 10401590

LOTUS: LTS0146163

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Burkholderia cepacia	Burkholderia	Burkholderiaceae	Burkholderiales	Betaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 283.415

TPSA？: 32.86

MolLogP？: 4.905620000000004

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Actinobacillus pleuropneumoniae	Actinobacillus pleuropneumoniae	MIC	1560.0	nM	10.1021/acs.jnatprod.0c00171
Agrobacterium tumefaciens	Agrobacterium tumefaciens	MIC	20.0	ug.mL-1	10.1016/s1099-4831(07)64004-8
Aspergillus niger	Aspergillus niger	MIC	100000.0	nM	10.1021/acs.jnatprod.0c00171
Bacillus subtilis	Bacillus subtilis	MIC	1560.0	nM	10.1021/acs.jnatprod.0c00171
Bipolaris oryzae	Bipolaris oryzae	GI	68.0	%	10.1016/s1099-4831(07)64004-8
Bombyx mori	Bombyx mori	Activity	0.0	%	10.1271/bbb.60.1510
Bombyx mori	Bombyx mori	Activity	20.0	%	10.1271/bbb.60.1510
Candida albicans	Candida albicans	MIC	100000.0	nM	10.1021/acs.jnatprod.0c00171
Clavibacter michiganensis	Clavibacter michiganensis	MIC	10.0	ug.mL-1	10.1016/s1099-4831(07)64004-8
Cryptococcus neoformans	Cryptococcus neoformans	MIC	1560.0	nM	10.1021/acs.jnatprod.0c00171
Escherichia coli	Escherichia coli	MIC	100000.0	nM	10.1021/acs.jnatprod.0c00171
Fusarium oxysporum	Fusarium oxysporum	GI	41.1	%	10.1016/s1099-4831(07)64004-8
Fusarium oxysporum	Fusarium oxysporum	MIC	12500.0	nM	10.1021/acs.jnatprod.0c00171
Fusarium solani	Fusarium solani	MIC	6250.0	nM	10.1021/acs.jnatprod.0c00171
Gaeumannomyces graminis	Gaeumannomyces graminis	GI	54.7	%	10.1016/s1099-4831(07)64004-8
Globisporangium ultimum	Globisporangium ultimum	GI	0.0	%	10.1016/s1099-4831(07)64004-8
Homo sapiens	Cytochrome P450 2D6	IC50	1200.0	nM	10.1016/j.bmcl.2011.09.015
Homo sapiens	HUVEC	IC50	15.0	nM	10.1016/j.bmcl.2011.09.015
Homo sapiens	Liver microsomes	CL	1000.0	mL.min-1.kg-1	10.1016/j.bmcl.2011.09.015
Mus musculus	Liver	CL	1000.0	mL.min-1.kg-1	10.1016/j.bmcl.2011.09.015
Pectobacterium carotovorum	Pectobacterium carotovorum	MIC	20.0	ug.mL-1	10.1016/s1099-4831(07)64004-8
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	100000.0	nM	10.1021/acs.jnatprod.0c00171
Pseudomonas fluorescens	Pseudomonas fluorescens	MIC	50000.0	nM	10.1021/acs.jnatprod.0c00171
Pyricularia oryzae	Pyricularia oryzae	GI	49.9	%	10.1016/s1099-4831(07)64004-8
Ralstonia solanacearum	Ralstonia solanacearum	MIC	20.0	ug.mL-1	10.1016/s1099-4831(07)64004-8
Rhizoctonia solani	Rhizoctonia solani	GI	58.1	%	10.1016/s1099-4831(07)64004-8
Staphylococcus aureus	Staphylococcus aureus	MIC	1560.0	nM	10.1021/acs.jnatprod.0c00171
Streptococcus agalactiae	Streptococcus agalactiae	MIC	1560.0	nM	10.1021/acs.jnatprod.0c00171
Verticillium dahliae	Verticillium dahliae	GI	74.9	%	10.1016/s1099-4831(07)64004-8
Xanthomonas campestris	Xanthomonas campestris	MIC	100000.0	nM	10.1021/acs.jnatprod.0c00171
Xanthomonas campestris pv. oryzae	Xanthomonas campestris pv. oryzae	MIC	20.0	ug.mL-1	10.1016/s1099-4831(07)64004-8
None	No relevant target	Solubility	1000.0	nM	10.1016/j.bmcl.2011.09.015
None	Unchecked	Activity	nan	None	10.1021/acs.jnatprod.0c00171
None	Unchecked	MIC	12500.0	nM	10.1021/acs.jnatprod.0c00171