Molecule

Burkholone

AlkaPlorer ID: AK403353

Synonym: None

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

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

InChI: InChI=1S/C18H23NO/c1-3-4-5-6-7-8-12-16-14(2)18(20)15-11-9-10-13-17(15)19-16/h7-11,13H,3-6,12H2,1-2H3,(H,19,20)/b8-7+

InChIKey: HROARYQHAQCVQN-BQYQJAHWSA-N

PubChem CID: 24740400

LOTUS: LTS0223522

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

Molecule Weight: 269.388

TPSA？: 32.86

MolLogP？: 4.515520000000003

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Actinobacillus pleuropneumoniae	Actinobacillus pleuropneumoniae	MIC	1560.0	nM	10.1021/acs.jnatprod.0c00171
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
Candida albicans	Candida albicans	MIC	100000.0	nM	10.1021/acs.jnatprod.0c00171
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	MIC	100000.0	nM	10.1021/acs.jnatprod.0c00171
Fusarium solani	Fusarium solani	MIC	100000.0	nM	10.1021/acs.jnatprod.0c00171
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	50000.0	nM	10.1021/acs.jnatprod.0c00171
Pseudomonas fluorescens	Pseudomonas fluorescens	MIC	25000.0	nM	10.1021/acs.jnatprod.0c00171
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
Xanthomonas campestris	Xanthomonas campestris	MIC	100000.0	nM	10.1021/acs.jnatprod.0c00171
None	Unchecked	Activity	nan	None	10.1021/acs.jnatprod.0c00171
None	Unchecked	MIC	12500.0	nM	10.1021/acs.jnatprod.0c00171