Oxysceptrine
AlkaPlorer ID: AK309111
Synonym: None
IUPAC Name: N-[[3-(2-amino-1H-imidazol-5-yl)-2-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4-bromo-1H-pyrrole-2-carboxamide
Structure
SMILES: N=C1N=C(O)C(C2C(CNC(=O)C3=CC(Br)=CN3)C(CNC(=O)C3=CC(Br)=CN3)C2C2=CNC(=N)N2)N1
InChI: InChI=1S/C22H24Br2N10O3/c23-8-1-12(27-3-8)18(35)29-5-10-11(6-30-19(36)13-2-9(24)4-28-13)16(17-20(37)34-22(26)33-17)15(10)14-7-31-21(25)32-14/h1-4,7,10-11,15-17,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25,31,32)(H3,26,33,34,37)
InChIKey: BCDVBQKLSBGFBQ-UHFFFAOYSA-N
Reference
Bioactive bromopyrrole metabolites from the Caribbean sponge Agelas conifera
PubChem CID: 195213
CAS: 117417-62-6
LOTUS: LTS0014098
COCONUT: CNP0108123.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Agelas clathrodes | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Agelas mauritiana | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Agelas conifera | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 636.309
TPSA？: 213.67999999999995
MolLogP？: 1.6723399999999995
Number of H-Donors: 10
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|