Ageliferin; 3'-Debromo, 2'-bromo, 1'-N-Me
AlkaPlorer ID: AK251139
Synonym: 1'-N-Methylisoageliferin
IUPAC Name: N-[[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]-5-bromo-1-methylpyrrole-2-carboxamide
Structure
SMILES: CN1C(Br)=CC=C1C(=O)NCC1CC2=C(N=C(N)N2)C(C2=CN=C(N)N2)C1CNC(=O)C1=CC(Br)=CN1
InChI: InChI=1S/C23H26Br2N10O2/c1-35-16(2-3-17(35)25)21(37)29-6-10-4-13-19(34-23(27)32-13)18(15-9-31-22(26)33-15)12(10)8-30-20(36)14-5-11(24)7-28-14/h2-3,5,7,9-10,12,18,28H,4,6,8H2,1H3,(H,29,37)(H,30,36)(H3,26,31,33)(H3,27,32,34)
InChIKey: FNIAZVGARFHKIF-UHFFFAOYSA-N
Reference
N-Methylated ageliferins from the sponge Astrosclera willeyana from Pohnpei
PubChem CID: 73836170
LOTUS: LTS0097222
COCONUT: CNP0186382
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astrosclera willeyana | Astrosclera | Astroscleridae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 634.3370000000002
TPSA？: 188.32
MolLogP？: 2.2692
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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