4-Hydroxy-2H-1,4-benzoxazin-3(4H)-one
AlkaPlorer ID: AK070920
Synonym: ''
IUPAC Name: 4-hydroxy-1,4-benzoxazin-3-one
Structure
SMILES: O=C1COC2=CC=CC=C2N1O
InChI: InChI=1S/C8H7NO3/c10-8-5-12-7-4-2-1-3-6(7)9(8)11/h1-4,11H,5H2
InChIKey: PTSQWRVYIPQDJA-UHFFFAOYSA-N
Reference
Benzoxazinoids and iridoid glucosides from four Lamium species
PubChem CID: 69865
CAS: 771-26-6
LOTUS: LTS0158269
COCONUT: CNP0252582
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lamium galeobdolon | Lamium | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 165.14799999999997
TPSA？: 49.77
MolLogP？: 0.8011999999999999
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 2016400.0 | nM | 10.1016/j.bmc.2018.11.016 |
| Candida albicans | Candida albicans | MIC | 2119300.0 | nM | 10.1016/j.bmc.2018.11.016 |
| Echinochloa crus-galli | Echinochloa crus-galli | IC50 | 234000.0 | nM | 10.1021/jf802735m |
| Echinochloa crus-galli | Echinochloa crus-galli | IC50 | 360000.0 | nM | 10.1002/ps.1799 |
| Escherichia coli | Escherichia coli | MIC | 7569000.0 | nM | 10.1016/j.bmc.2018.11.016 |
| Oryza sativa | Oryza sativa | IC50 | 149000.0 | nM | 10.1021/jf802735m |
| Rhopalosiphum padi | Rhopalosiphum padi | Activity | 26.0 | % | 10.1021/jf030766t |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 2016400.0 | nM | 10.1016/j.bmc.2018.11.016 |
| None | Unchecked | Ratio IC50 | 0.6 | None | 10.1021/jf802735m |