Molecule

2-(3-Amino-4-hydroxyphenyl)-5-benzoxazolemethanol; Carboxylic acid, N-Ac

AlkaPlorer ID: AK057169

Synonym: 2-(3-Acetamido-4-hydroxyphenyl)-5-benzoxazolecarboxylic acid, Nocarbenzoxazole A

IUPAC Name: 2-(3-acetamido-4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid

SMILES: CC(O)=NC1=CC(C2=NC3=CC(C(=O)O)=CC=C3O2)=CC=C1O

InChI: InChI=1S/C16H12N2O5/c1-8(19)17-11-6-9(2-4-13(11)20)15-18-12-7-10(16(21)22)3-5-14(12)23-15/h2-7,20H,1H3,(H,17,19)(H,21,22)

InChIKey: VGZJCPODYDTPMO-UHFFFAOYSA-N

PubChem CID: 137133298

LOTUS: LTS0061208

NPASS: NPC480791

COCONUT: CNP0352076

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NPAtlas: NPA017545

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Nocardia	Nocardiaceae	Mycobacteriales	Actinomycetes	Actinomycetota	None	Bacteria
Nocardiopsis lucentensis	Nocardiopsis	Nocardiopsaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria

Molecule Weight: 312.28100000000006

TPSA？: 116.15

MolLogP？: 3.506500000000002

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Candida albicans	Candida albicans	Activity	nan	None	10.1021/acs.jnatprod.5b00031
Homo sapiens	HeLa	IC50	50000.0	nM	10.1021/acs.jnatprod.5b00031
Homo sapiens	HepG2	IC50	50000.0	nM	10.1021/acs.jnatprod.5b00031
Homo sapiens	MDA-MB-231	IC50	50000.0	nM	10.1021/acs.jnatprod.5b00031
Homo sapiens	MDA-MB-435	IC50	50000.0	nM	10.1021/acs.jnatprod.5b00031
Homo sapiens	PC-3	IC50	50000.0	nM	10.1021/acs.jnatprod.5b00031
Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	Activity	nan	None	10.1021/acs.jnatprod.5b00031
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1021/acs.jnatprod.5b00031