2-(3-Amino-4-hydroxyphenyl)-5-benzoxazolemethanol
AlkaPlorer ID: AK057163
Synonym: 2-(3-Amino-4-hydroxyphenyl)-5-(hydroxymethyl)benzoxazole, Nocarbenzoxazole B
IUPAC Name: 2-amino-4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol
Structure
SMILES: NC1=CC(C2=NC3=C(C=CC(CO)=C3)O2)=CC=C1O
InChI: InChI=1S/C14H12N2O3/c15-10-6-9(2-3-12(10)18)14-16-11-5-8(7-17)1-4-13(11)19-14/h1-6,17-18H,7,15H2
InChIKey: QDKBOYBNGQTAPK-UHFFFAOYSA-N
Reference
Nocarbenzoxazoles A–G, Benzoxazoles Produced by Halophilic <i>Nocardiopsis lucentensis</i> DSM 44048
PubChem CID: 137133299
LOTUS: LTS0273384
NPASS: NPC480792
COCONUT: CNP0122994
{NPAtlas: NPA017455
Source
| 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 |
Properties Information
Molecule Weight: 256.261
TPSA？: 92.51
MolLogP？: 2.2749
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| 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 | 49000.0 | 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 |