Ageliferin
AlkaPlorer ID: AK367380
Synonym: None
IUPAC Name: N-[[(5S,6S,7R)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide
Structure
SMILES: N=C1NC=C([C@@H]2C3=C(C[C@H](CNC(=O)C4=CC(Br)=CN4)[C@@H]2CNC(=O)C2=CC(Br)=CN2)NC(=N)N3)N1
InChI: InChI=1S/C22H24Br2N10O2/c23-10-2-14(27-5-10)19(35)29-4-9-1-13-18(34-22(26)32-13)17(16-8-31-21(25)33-16)12(9)7-30-20(36)15-3-11(24)6-28-15/h2-3,5-6,8-9,12,17,27-28H,1,4,7H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34)/t9-,12+,17-/m1/s1
InChIKey: DMMLTRAQSJWUHT-CIBPLQMKSA-N
Reference
Bioactive bromopyrrole metabolites from the Caribbean sponge Agelas conifera
PubChem CID: 163187641
LOTUS: LTS0194494
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas conifera | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 620.3100000000001
TPSA？: 200.64
MolLogP？: 1.91954
Number of H-Donors: 10
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|