Nocarbenzoxazole F
AlkaPlorer ID: AK024135
Synonym: 'Nocarbenzoxazole F'
IUPAC Name: 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol
Structure
SMILES: OCC1=CC=C2OC(C3=CC=C(O)C=C3)=NC2=C1
InChI: InChI=1S/C14H11NO3/c16-8-9-1-6-13-12(7-9)15-14(18-13)10-2-4-11(17)5-3-10/h1-7,16-17H,8H2
InChIKey: CSCMODQTLPIEMH-UHFFFAOYSA-N
Reference
Nocarbenzoxazoles A–G, Benzoxazoles Produced by Halophilic <i>Nocardiopsis lucentensis</i> DSM 44048
PubChem CID: 137133303
LOTUS: LTS0211825
COCONUT: CNP0177214
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardiopsis lucentensis | Nocardiopsis | Nocardiopsaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 241.246
TPSA？: 66.49000000000001
MolLogP？: 2.6927000000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
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 | 4700.0 | nM | 10.1021/acs.jnatprod.9b00072 |
| Homo sapiens | HeLa | IC50 | 14000.0 | nM | 10.1021/acs.jnatprod.5b00031 |
| Homo sapiens | Hep 3B2 | IC50 | 20000.0 | nM | 10.1021/acs.jnatprod.9b00072 |
| Homo sapiens | HepG2 | IC50 | 16000.0 | 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 |