Aplysinopsin; 3'-Deimino, 3'-oxo
AlkaPlorer ID: AK289020
Synonym: None
IUPAC Name: 4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-dimethylimidazol-2-one
Structure
SMILES: CN1C(=O)/C(=C\C2=CNC3=CC=CC=C23)N(C)C1=O
InChI: InChI=1S/C14H13N3O2/c1-16-12(13(18)17(2)14(16)19)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,15H,1-2H3/b12-7+
InChIKey: WUQMPTDEQHJERM-KPKJPENVSA-N
Reference
CAS: 63153-57-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tubastraea sp. | Tubastraea | Dendrophylliidae | Scleractinia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 255.277
TPSA？: 56.41
MolLogP？: 2.0326
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Glycine receptor subunit alpha-1 | IC50 | 200000.0 | nM | 10.1016/j.bmc.2013.04.061 |
| Homo sapiens | Glycine receptor subunit alpha-3 | IC50 | 67000.0 | nM | 10.1016/j.bmc.2013.04.061 |