Ageliferin; 1,1'-Di-N-Me
AlkaPlorer ID: AK188577
Synonym: N1,N1'-Dimethylageliferin
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]-4-bromo-1-methylpyrrole-2-carboxamide
Structure
SMILES: CN1C=C(Br)C=C1C(=O)NCC1CC2=C(N=C(N)N2)C(C2=CN=C(N)N2)C1CNC(=O)C1=CC(Br)=CN1C
InChI: InChI=1S/C24H28Br2N10O2/c1-35-9-12(25)4-17(35)21(37)29-6-11-3-15-20(34-24(28)32-15)19(16-8-31-23(27)33-16)14(11)7-30-22(38)18-5-13(26)10-36(18)2/h4-5,8-11,14,19H,3,6-7H2,1-2H3,(H,29,37)(H,30,38)(H3,27,31,33)(H3,28,32,34)
InChIKey: GCEXTMOWYCJINA-UHFFFAOYSA-N
Reference
N-Methylated ageliferins from the sponge Astrosclera willeyana from Pohnpei
PubChem CID: 73836166
LOTUS: LTS0180819
COCONUT: CNP0269041
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astrosclera willeyana | Astrosclera | Astroscleridae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 648.3640000000001
TPSA？: 177.45999999999998
MolLogP？: 2.2796000000000003
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|