Aplysinopsin; 6-Bromo, 1',8-dihydro, 1'ξ-ethoxy
AlkaPlorer ID: AK289015
Synonym: 6-Bromo-1'-ethoxy-1',8-dihydroaplysinopsin
IUPAC Name: 5-[(6-bromo-1H-indol-3-yl)methyl]-5-ethoxy-2-imino-1,3-dimethylimidazolidin-4-one
Structure
SMILES: CCOC1(CC2=CNC3=C2C=CC(Br)=C3)C(=O)N(C)C(=N)N1C
InChI: InChI=1S/C16H19BrN4O2/c1-4-23-16(14(22)20(2)15(18)21(16)3)8-10-9-19-13-7-11(17)5-6-12(10)13/h5-7,9,18-19H,4,8H2,1-3H3
InChIKey: RNZDQSFDNPIZJE-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: 379.2580000000001
TPSA？: 72.42
MolLogP？: 2.54427
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 | 12.5 | ug.mL-1 | 10.1021/np0501334 |