88839-97-8
AlkaPlorer ID: AK063514
Synonym: '', 'Keramadine'
IUPAC Name: N-[3-(2-amino-3-methylimidazol-4-yl)prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide
Structure
SMILES: CN1C(C=CCNC(=O)C2=CC(Br)=CN2)=CN=C1N
InChI: InChI=1S/C12H14BrN5O/c1-18-9(7-17-12(18)14)3-2-4-15-11(19)10-5-8(13)6-16-10/h2-3,5-7,16H,4H2,1H3,(H2,14,17)(H,15,19)
InChIKey: IHGGTFLLONNOLE-UHFFFAOYSA-N
Reference
Novel Bromopyrrole Alkaloids from the Sponge <i>Agelas dispar</i>
PubChem CID: 70519477
CAS: 88839-97-8
LOTUS: LTS0169550
COCONUT: CNP0244396
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas dispar | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 324.182
TPSA？: 88.73
MolLogP？: 1.5360999999999998
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|