Ageliferin; 2,2'-Dibromo, 1'-N-Me
AlkaPlorer ID: AK268923
Synonym: 1'-N-Methyl-2,2'-dibromoageliferin
IUPAC Name: N-[[2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide
Structure
SMILES: CN1C(C(=O)NCC2CC3=C(N=C(N)N3)C(C3=CN=C(N)N3)C2CNC(=O)C2=CC(Br)=C(Br)N2)=CC(Br)=C1Br
InChI: InChI=1S/C23H24Br4N10O2/c1-37-15(4-11(25)19(37)27)21(39)30-5-8-2-12-17(36-23(29)34-12)16(14-7-32-22(28)35-14)9(8)6-31-20(38)13-3-10(24)18(26)33-13/h3-4,7-9,16,33H,2,5-6H2,1H3,(H,30,39)(H,31,38)(H3,28,32,35)(H3,29,34,36)
InChIKey: XCRVUTLUFPONOI-UHFFFAOYSA-N
Reference
N-Methylated ageliferins from the sponge Astrosclera willeyana from Pohnpei
PubChem CID: 73836176
LOTUS: LTS0208425
COCONUT: CNP0315886
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astrosclera willeyana | Astrosclera | Astroscleridae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 792.129
TPSA？: 188.32
MolLogP？: 3.794200000000001
Number of H-Donors: 7
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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