Aplysinimine
AlkaPlorer ID: AK039466
Synonym: None
IUPAC Name: 5,7-dibromo-6-methoxy-3H-1-benzofuran-2-imine
Structure
SMILES: COC1=C(Br)C=C2CC(=N)OC2=C1Br
InChI: InChI=1S/C9H7Br2NO2/c1-13-9-5(10)2-4-3-6(12)14-8(4)7(9)11/h2,12H,3H2,1H3
InChIKey: YWNFAVCRETYBMJ-UHFFFAOYSA-N
Reference
Brominated Metabolites from the Sponge Aplysina (verongia) thiona
PubChem CID: 180485
CAS: 129138-55-2
LOTUS: LTS0155154
SuperNatural Ⅲ: SN0462185
COCONUT: CNP0422300
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 320.968
TPSA？: 42.31
MolLogP？: 3.1323700000000008
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Salmonella enterica subsp. enterica serovar Typhi str. CT18 | Salmonella enterica subsp. enterica serovar Typhi str. CT18 | Activity | None | None | 10.1021/np50069a001 |
| Shigella sonnei | Shigella sonnei | Activity | None | None | 10.1021/np50069a001 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/np50069a001 |
| Streptococcus pyogenes | Streptococcus pyogenes | Activity | None | None | 10.1021/np50069a001 |