Aplysinopsin; 6-Bromo, 3'-deimino, 3'-oxo
AlkaPlorer ID: AK289009
Synonym: 6-Bromo-3'-deimino-3'-oxoaplysinopsin
IUPAC Name: 4-[(6-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dimethylimidazol-2-one
Structure
SMILES: CN1C(=O)/C(=C\C2=CNC3=CC(Br)=CC=C23)N(C)C1=O
InChI: InChI=1S/C14H12BrN3O2/c1-17-12(13(19)18(2)14(17)20)5-8-7-16-11-6-9(15)3-4-10(8)11/h3-7,16H,1-2H3/b12-5+
InChIKey: PGTOBDIFDRMWAG-LFYBBSHMSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tubastraea sp. | Tubastraea | Dendrophylliidae | Scleractinia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 334.17300000000006
TPSA？: 56.41
MolLogP？: 2.7951000000000006
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|