246137-00-8
AlkaPlorer ID: AK016721
Synonym: '246137-03-1', 'Slagenin B', '(-)-Slagenin C', 'Slagenin C', '(+)-Slagenin B'
IUPAC Name: N-[[(3aS,5R,6aS)-6a-methoxy-2-oxo-3,3a,5,6-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide
Structure
SMILES: CO[C@@]12C[C@H](CNC(=O)C3=CC(Br)=CN3)O[C@@H]1N=C(O)N2
InChI: InChI=1S/C12H15BrN4O4/c1-20-12-3-7(21-10(12)16-11(19)17-12)5-15-9(18)8-2-6(13)4-14-8/h2,4,7,10,14H,3,5H2,1H3,(H,15,18)(H2,16,17,19)/t7-,10+,12+/m1/s1
InChIKey: WRJYHSZMHSXLMX-VHRDEZTHSA-N
Reference
Slagenins A ∼ C, novel bromopyrrole alkaloids from marine sponge Agelas nakamurai
PubChem CID: 10666152
LOTUS: LTS0198878
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas nakamurai | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 359.18
TPSA？: 107.97
MolLogP？: 0.4818999999999994
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|