Ageliferin; 2-Bromo, 1'-N-Me
AlkaPlorer ID: AK250670
Synonym: 1'-N-Methyl-2-bromoageliferin
IUPAC Name: N-[[2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Structure
SMILES: CN1C=C(Br)C=C1C(=O)NCC1CC2=C(NC(N)=N2)C(C2=CN=C(N)N2)C1CNC(=O)C1=CC(Br)=C(Br)N1
InChI: InChI=1S/C23H25Br3N10O2/c1-36-8-10(24)3-16(36)21(38)29-5-9-2-13-18(35-23(28)33-13)17(15-7-31-22(27)34-15)11(9)6-30-20(37)14-4-12(25)19(26)32-14/h3-4,7-9,11,17,32H,2,5-6H2,1H3,(H,29,38)(H,30,37)(H3,27,31,34)(H3,28,33,35)
InChIKey: NOQZFODGPSPCJC-UHFFFAOYSA-N
Reference
N-Methylated ageliferins from the sponge Astrosclera willeyana from Pohnpei
PubChem CID: 73836174
LOTUS: LTS0169295
COCONUT: CNP0149145
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astrosclera willeyana | Astrosclera | Astroscleridae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 713.2330000000002
TPSA？: 188.32
MolLogP？: 3.0317000000000007
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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