Hymenialdisine; E-Isomer, 3-bromo, 2-debromo
AlkaPlorer ID: AK173320
Synonym: Spongiacidin B
IUPAC Name: 4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-3-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
Structure
SMILES: N=C1NC(=O)C(=C2CCNC(=O)C3=C2C(Br)=CN3)N1
InChI: InChI=1S/C11H10BrN5O2/c12-5-3-15-8-6(5)4(1-2-14-9(8)18)7-10(19)17-11(13)16-7/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
InChIKey: BGQVVTJSMBYUHC-UHFFFAOYSA-N
Reference
Novel bioactive bromopyrrole alkaloids from the Mediterranean sponge Axinella verrucosa
PubChem CID: 136350025
LOTUS: LTS0130113
COCONUT: CNP0175623
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Hymeniacidon | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Hymeniacidon | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 324.1379999999999
TPSA？: 109.87
MolLogP？: 0.2759700000000002
Number of H-Donors: 5
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|