50256-18-3
AlkaPlorer ID: AK090178
Synonym: None
IUPAC Name: 1-methylpteridine-2,4-dione
Structure
SMILES: CN1C(=O)N=C(O)C2=NC=CN=C21
InChI: InChI=1S/C7H6N4O2/c1-11-5-4(8-2-3-9-5)6(12)10-7(11)13/h2-3H,1H3,(H,10,12,13)
InChIKey: UYKSIAWLPKJVJX-UHFFFAOYSA-N
Reference
Corallistine, a new polynitrogen compound from the sponge Corallistes fulvodesmus L. & L.
PubChem CID: 556817
CAS: 50256-18-3
LOTUS: LTS0269578
COCONUT: CNP0200291
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neoschrammeniella fulvodesmus | Neoschrammeniella | Corallistidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 178.151
TPSA？: 80.9
MolLogP？: -0.5709000000000002
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | TNF-alpha | IC50 | None | nM | 10.1021/jm940845j |