Nocarbenzoxazole G
AlkaPlorer ID: AK057134
Synonym: 'Nocarbenzoxazole G'
IUPAC Name: 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol
Structure
SMILES: COC1=CC(O)=CC=C1C1=NC2=CC(CO)=CC=C2O1
InChI: InChI=1S/C15H13NO4/c1-19-14-7-10(18)3-4-11(14)15-16-12-6-9(8-17)2-5-13(12)20-15/h2-7,17-18H,8H2,1H3
InChIKey: FMKKXSLFSSVDCS-UHFFFAOYSA-N
Reference
Nocarbenzoxazoles A–G, Benzoxazoles Produced by Halophilic <i>Nocardiopsis lucentensis</i> DSM 44048
PubChem CID: 137133304
LOTUS: LTS0073216
COCONUT: CNP0352069
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardiopsis lucentensis | Nocardiopsis | Nocardiopsaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 271.272
TPSA？: 75.72
MolLogP？: 2.7013000000000007
Number of H-Donors: 2
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 | 1000.0 | nM | 10.1021/acs.jnatprod.5b00031 |
| Homo sapiens | HeLa | IC50 | 2900.0 | nM | 10.1021/acs.jnatprod.9b00072 |
| Homo sapiens | Hep 3B2 | IC50 | 20000.0 | nM | 10.1021/acs.jnatprod.9b00072 |
| Homo sapiens | HepG2 | IC50 | 3000.0 | nM | 10.1021/acs.jnatprod.5b00031 |
| Homo sapiens | HepG2 | IC50 | 20000.0 | nM | 10.1021/acs.jnatprod.9b00072 |
| Homo sapiens | MCF7 | IC50 | 20000.0 | nM | 10.1021/acs.jnatprod.9b00072 |
| Homo sapiens | MDA-MB-231 | IC50 | 20000.0 | nM | 10.1021/acs.jnatprod.9b00072 |
| 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 |
| Homo sapiens | T98G | IC50 | 20000.0 | nM | 10.1021/acs.jnatprod.9b00072 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | Activity | nan | None | 10.1021/acs.jnatprod.5b00031 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/acs.jnatprod.5b00031 |