Aplysinopsin; 3'-Deimino, 3'-oxo, N2',N4'-di-de-Me
AlkaPlorer ID: AK289021
Synonym: None
IUPAC Name: 4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-dihydroimidazol-2-one
Structure
SMILES: O=C1NC(=O)/C(=C\C2=CNC3=CC=CC=C23)N1
InChI: InChI=1S/C12H9N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,13H,(H2,14,15,16,17)/b10-5+
InChIKey: WJZHVBZSCOLDKV-BJMVGYQFSA-N
Reference
CAS: 5453-51-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptopsammia pruvoti | Leptopsammia | Dendrophylliidae | Scleractinia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 227.223
TPSA？: 73.99
MolLogP？: 1.3481999999999998
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Interferon-induced, double-stranded RNA-activated protein kinase | IC50 | 11000.0 | nM | 10.1016/j.bmcl.2011.04.149 |