Dispacamide A; 2-Debromo, 9-methoxy
AlkaPlorer ID: AK076313
Synonym: 9-Methoxydispacamide B, 9-O-Methylmukanadine A
IUPAC Name: N-[3-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-methoxypropyl]-4-bromo-1H-pyrrole-2-carboxamide
Structure
SMILES: COC(C=C1NC(=N)N=C1O)CNC(=O)C1=CC(Br)=CN1
InChI: InChI=1S/C12H14BrN5O3/c1-21-7(3-9-11(20)18-12(14)17-9)5-16-10(19)8-2-6(13)4-15-8/h2-4,7,15H,5H2,1H3,(H,16,19)(H3,14,17,18,20)
InChIKey: DHVHCVPLBFBHND-UHFFFAOYSA-N
Reference
Novel bioactive bromopyrrole alkaloids from the Mediterranean sponge Axinella verrucosa
PubChem CID: 162931688
LOTUS: LTS0058358
COCONUT: CNP0201702
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Axinella verrucosa | Axinella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 356.18
TPSA？: 122.59
MolLogP？: 0.9003699999999997
Number of H-Donors: 5
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|