Spongiacidin A
AlkaPlorer ID: AK004174
Synonym: None
IUPAC Name: (4E)-4-(2-amino-5-oxoimidazolidin-4-ylidene)-2,3-dibromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
Structure
SMILES: C\1CNC(=O)C2=C(/C1=C/3\C(=O)NC(N3)N)C(=C(N2)Br)Br
InChI: InChI=1S/C11H11Br2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h11,16-17H,1-2,14H2,(H,15,19)(H,18,20)/b6-3+
InChIKey: CTHGIINQRBTFRV-ZZXKWVIFSA-N
Reference
Novel bioactive bromopyrrole alkaloids from the Mediterranean sponge Axinella verrucosa
PubChem CID: 44575454
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Axinella verrucosa | Axinella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Stylissa carteri | Stylissa | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 405.05
TPSA？: 112.03999999999999
MolLogP？: 0.3460000000000001
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cyclin-dependent kinase 4 | IC50 | 32.0 | ug.mL-1 | 10.1021/np970565h |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | IC50 | 8.5 | ug.mL-1 | 10.1021/np970565h |