Hymenialdisine; E-Isomer, 3-bromo
AlkaPlorer ID: AK065935
Synonym: Spongiacidin A
IUPAC Name: 4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2,3-dibromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
Structure
SMILES: N=C1NC(=O)C(=C2CCNC(=O)C3=C2C(Br)=C(Br)N3)N1
InChI: InChI=1S/C11H9Br2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h16H,1-2H2,(H,15,19)(H3,14,17,18,20)
InChIKey: ZITKTAJHKVYGTC-UHFFFAOYSA-N
Reference
Novel bioactive bromopyrrole alkaloids from the Mediterranean sponge Axinella verrucosa
PubChem CID: 137161780
CAS: 175421-15-5
LOTUS: LTS0162036
COCONUT: CNP0226657
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stylissa carteri | Stylissa | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 403.03399999999993
TPSA？: 109.87
MolLogP？: 1.0384700000000002
Number of H-Donors: 5
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|