2H-1, 4-benzoxazin-3 (4H)-one
AlkaPlorer ID: AK009452
Synonym: '2H-1,4-Benzoxazin-3(4H)-one'
IUPAC Name: 4H-1,4-benzoxazin-3-one
Structure
SMILES: OC1=NC2=CC=CC=C2OC1
InChI: InChI=1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
InChIKey: QRCGFTXRXYMJOS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 149.14899999999994
TPSA？: 41.82000000000001
MolLogP？: 1.667
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 6704700.0 | nM | 10.1016/j.bmc.2018.11.016 |
| Homo sapiens | Poly [ADP-ribose] polymerase-1 | Kd | 500000.0 | nM | 10.1016/j.bmcl.2013.06.055 |
| Mus musculus | Mus musculus | ED50 | 300.0 | mg.kg-1 | 10.1016/j.ejmech.2007.08.006 |
| Mus musculus | Mus musculus | TD50 | 300.0 | mg kg-1 | 10.1016/j.ejmech.2007.08.006 |
| Rhopalosiphum padi | Rhopalosiphum padi | Activity | 17.0 | % | 10.1021/jf030766t |