Ageliferin; 2'-Bromo, 1'-N-Me
AlkaPlorer ID: AK101225
Synonym: 1'-N-Methyl-2'-bromoageliferin
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]-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)=CN2)=CC(Br)=C1Br
InChI: InChI=1S/C23H25Br3N10O2/c1-36-16(4-12(25)19(36)26)21(38)30-5-9-2-13-18(35-23(28)33-13)17(15-8-32-22(27)34-15)11(9)7-31-20(37)14-3-10(24)6-29-14/h3-4,6,8-9,11,17,29H,2,5,7H2,1H3,(H,30,38)(H,31,37)(H3,27,32,34)(H3,28,33,35)
InChIKey: OSLSKCFZSRZFSN-UHFFFAOYSA-N
Reference
N-Methylated ageliferins from the sponge Astrosclera willeyana from Pohnpei
PubChem CID: 73836172
LOTUS: LTS0184511
COCONUT: CNP0233062
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astrosclera willeyana | Astrosclera | Astroscleridae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 713.2330000000001
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 |
|---|