Molecule

2-(3-Amino-4-hydroxyphenyl)-5-benzoxazolemethanol; N-(Hydroxyacetyl)

AlkaPlorer ID: AK057144

Synonym: Nocarbenzoxazole E

IUPAC Name: 2-hydroxy-N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]acetamide

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

InChI: InChI=1S/C16H14N2O5/c19-7-9-1-4-14-12(5-9)18-16(23-14)10-2-3-13(21)11(6-10)17-15(22)8-20/h1-6,19-21H,7-8H2,(H,17,22)

InChIKey: WTWPTUDRGXPSNI-UHFFFAOYSA-N

PubChem CID: 137133302

LOTUS: LTS0251133

NPASS: NPC480795

COCONUT: CNP0352072

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NPAtlas: NPA011065

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: 314.297

TPSA？: 119.31000000000002

MolLogP？: 2.273

Number of H-Donors: 4

Number of H-Acceptors: 6

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	34000.0	nM	10.1021/acs.jnatprod.5b00031
Homo sapiens	PC-3	IC50	48000.0	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