Molecule

6-Benzyl-4-oxo-4H-pyran-3-carboxylic acid; Amide

AlkaPlorer ID: AK064461

Synonym: 6-Benzyl-4-oxo-4H-pyran-3-carboxamide, Carbonarone A, Tensidol A

IUPAC Name: 6-benzyl-4-oxopyran-3-carboxamide

SMILES: N=C(O)C1=COC(CC2=CC=CC=C2)=CC1=O

InChI: InChI=1S/C13H11NO3/c14-13(16)11-8-17-10(7-12(11)15)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,16)

InChIKey: RQWMGMIZGOCPMP-UHFFFAOYSA-N

PubChem CID: 16067346

LOTUS: LTS0052303

SuperNatural Ⅲ: SN0332798

NPASS: NPC177127

COCONUT: CNP0325578

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NPAtlas: NPA015651

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus carbonarius	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Aspergillus niger	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Molecule Weight: 229.235

TPSA？: 74.28999999999999

MolLogP？: 2.11397

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Acinetobacter baumannii	Acinetobacter baumannii	Inhibition	None	%	10.1021/np200454z
Burkholderia cepacia	Burkholderia cepacia	Inhibition	None	%	10.1021/np200454z
Candida albicans	Candida albicans	Activity	None	None	10.1021/np200454z
Enterobacter cloacae	Enterobacter cloacae	Inhibition	None	%	10.1021/np200454z
Escherichia coli	Escherichia coli	Inhibition	None	%	10.1021/np200454z
Klebsiella pneumoniae	Klebsiella pneumoniae	Inhibition	None	%	10.1021/np200454z
Mus musculus	RAW264.7	Activity	None	None	10.1021/acs.jnatprod.9b00560
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	None	%	10.1021/np200454z
Staphylococcus aureus	Staphylococcus aureus	Inhibition	None	%	10.1021/np200454z
Staphylococcus epidermidis	Staphylococcus epidermidis	Inhibition	None	%	10.1021/np200454z