Aplysinopsin; 6-Bromo, 1',8-dihydro, 1'ξ-methoxy
AlkaPlorer ID: AK289017
Synonym: 6-Bromo-1',8-dihydro-1'-methoxyaplysinopsin
IUPAC Name: 5-[(6-bromo-1H-indol-3-yl)methyl]-2-imino-5-methoxy-1,3-dimethylimidazolidin-4-one
Structure
SMILES: COC1(CC2=CNC3=C2C=CC(Br)=C3)C(=O)N(C)C(=N)N1C
InChI: InChI=1S/C15H17BrN4O2/c1-19-13(21)15(22-3,20(2)14(19)17)7-9-8-18-12-6-10(16)4-5-11(9)12/h4-6,8,17-18H,7H2,1-3H3
InChIKey: QGMVWWCRCSOHMZ-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: 365.2310000000001
TPSA？: 72.42
MolLogP？: 2.15417
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 100.0 | ug.mL-1 | 10.1021/np0501334 |