3,4-dihydro-2H-1,4-benzoxazine-2,3-dione
AlkaPlorer ID: AK156118
Synonym: None
IUPAC Name: 4H-1,4-benzoxazine-2,3-dione
Structure
SMILES: O=C1NC2=CC=CC=C2OC1=O
InChI: InChI=1S/C8H5NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,10)
InChIKey: MNDKNFRJYMSGTH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Coix | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 163.13199999999995
TPSA？: 63.07
MolLogP？: 0.4812999999999999
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mast cell | Inhibition | 90.5 | % | 10.1021/np50055a009 |
| Mus musculus | Mast cell | Inhibition | 98.5 | % | 10.1021/np50055a009 |
| Rattus norvegicus | Rattus norvegicus | IC50 | 42000.0 | nM | 10.1021/jm00379a006 |
| Rattus norvegicus | Rattus norvegicus | Inhibition | 70.0 | % | 10.1021/jm00379a006 |