Aplysinopsin; 6-Bromo, 3'-deimino, 3'-oxo, N2',N4'-di-de-Me
AlkaPlorer ID: AK289010
Synonym: 5-[(6-Bromo-1H-indol-3-yl)methylene]-2,4-imidazolidinedione, 6-Bromo-3'-deimino-2',4'-bis(demethyl)-3'-oxoaplysinopsin
IUPAC Name: 4-[(6-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
Structure
SMILES: OC1=N/C(=C/C2=CNC3=CC(Br)=CC=C23)C(O)=N1
InChI: InChI=1S/C12H8BrN3O2/c13-7-1-2-8-6(5-14-9(8)4-7)3-10-11(17)16-12(18)15-10/h1-5,14H,(H2,15,16,17,18)/b10-3+
InChIKey: LUYXYXVNRFZRHK-XCVCLJGOSA-N
Reference
LOTUS: LTS0225937
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hemimycale arabica | Hemimycale | Hymedesmiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Leptopsammia pruvoti | Leptopsammia | Dendrophylliidae | Scleractinia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 306.119
TPSA？: 80.97
MolLogP？: 3.1554
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|