2-(3-Amino-4-hydroxyphenyl)-5-benzoxazolemethanol; N-Formyl
AlkaPlorer ID: AK057128
Synonym: Nocarbenzoxazole D
IUPAC Name: N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide
Structure
SMILES: OC=NC1=CC(C2=NC3=CC(CO)=CC=C3O2)=CC=C1O
InChI: InChI=1S/C15H12N2O4/c18-7-9-1-4-14-12(5-9)17-15(21-14)10-2-3-13(20)11(6-10)16-8-19/h1-6,8,18,20H,7H2,(H,16,19)
InChIKey: NXTIGUDLHSBZPG-UHFFFAOYSA-N
Reference
Nocarbenzoxazoles A–G, Benzoxazoles Produced by Halophilic <i>Nocardiopsis lucentensis</i> DSM 44048
PubChem CID: 137133301
LOTUS: LTS0175000
NPASS: NPC480794
COCONUT: CNP0352066
{NPAtlas: NPA009105
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: 284.271
TPSA？: 99.08
MolLogP？: 2.910500000000001
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 | 22000.0 | nM | 10.1021/acs.jnatprod.5b00031 |
| Homo sapiens | HepG2 | IC50 | 47000.0 | 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 |