Dispacamide A; 2-Debromo
AlkaPlorer ID: AK032003
Synonym: Dispacamide B, 2-Debromodispacamide A
IUPAC Name: N-[3-(2-amino-5-oxo-1H-imidazol-4-ylidene)propyl]-4-bromo-1H-pyrrole-2-carboxamide
Structure
SMILES: NC1=NC(=O)C(=CCCNC(=O)C2=CC(Br)=CN2)N1
InChI: InChI=1S/C11H12BrN5O2/c12-6-4-8(15-5-6)9(18)14-3-1-2-7-10(19)17-11(13)16-7/h2,4-5,15H,1,3H2,(H,14,18)(H3,13,16,17,19)
InChIKey: PCZQPMTVYGOGDF-UHFFFAOYSA-N
Reference
Mukanadins A−C, New Bromopyrrole Alkaloids from Marine Sponge <i>Agelas </i><i>n</i><i>akamurai</i>
PubChem CID: 162996635
LOTUS: LTS0249912
COCONUT: CNP0270048
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Agelas conifera | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 326.15399999999994
TPSA？: 112.36999999999998
MolLogP？: 0.2254999999999997
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|