Aplysinopsin; 6-Bromo, 1',8-dihydro, 1'ξ-hydroxy
AlkaPlorer ID: AK289016
Synonym: 6-Bromo-1',8-dihydro-1'-hydroxyaplysinopsin
IUPAC Name: 5-[(6-bromo-1H-indol-3-yl)methyl]-5-hydroxy-2-imino-1,3-dimethylimidazolidin-4-one
Structure
SMILES: CN1C(=N)N(C)C(O)(CC2=CNC3=C2C=CC(Br)=C3)C1=O
InChI: InChI=1S/C14H15BrN4O2/c1-18-12(20)14(21,19(2)13(18)16)6-8-7-17-11-5-9(15)3-4-10(8)11/h3-5,7,16-17,21H,6H2,1-2H3
InChIKey: NPKCNVDEQUTUJO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Smenospongia | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Thorectandra | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 351.204
TPSA？: 83.41999999999999
MolLogP？: 1.5000699999999996
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 12.5 | ug.mL-1 | 10.1021/np0501334 |