Ageliferin; 3'-Debromo, 2'-bromo, 1,1'-di-N-Me
AlkaPlorer ID: AK269676
Synonym: N1,N1'-Dimethylisoageliferin
IUPAC Name: N-[[2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-5-bromo-1-methylpyrrole-2-carboxamide
Structure
SMILES: CN1C=C(Br)C=C1C(=O)NCC1C(CNC(=O)C2=CC=C(Br)N2C)CC2=C(NC(N)=N2)C1C1=CNC(N)=N1
InChI: InChI=1S/C24H28Br2N10O2/c1-35-10-12(25)6-17(35)22(38)30-8-13-11(7-29-21(37)16-3-4-18(26)36(16)2)5-14-20(34-24(28)32-14)19(13)15-9-31-23(27)33-15/h3-4,6,9-11,13,19H,5,7-8H2,1-2H3,(H,29,37)(H,30,38)(H3,27,31,33)(H3,28,32,34)
InChIKey: KNUPQIGAGOEZFG-UHFFFAOYSA-N
Reference
N-Methylated ageliferins from the sponge Astrosclera willeyana from Pohnpei
PubChem CID: 73836168
LOTUS: LTS0210730
COCONUT: CNP0328229
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astrosclera willeyana | Astrosclera | Astroscleridae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 648.3639999999998
TPSA？: 177.45999999999998
MolLogP？: 2.2796
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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