Agelaspongin; 10,11-Dibromo, Me ether
AlkaPlorer ID: AK283551
Synonym: Dibromoagelaspongin methyl ether
IUPAC Name: 3-amino-13,14-dibromo-5-methoxy-2,4,9,15-tetrazatetracyclo[7.6.0.01,5.011,15]pentadeca-2,11,13-trien-10-one
Structure
SMILES: COC12CCCN3C(=O)C4=CC(Br)=C(Br)N4C31NC(=N)N2
InChI: InChI=1S/C12H13Br2N5O2/c1-21-11-3-2-4-18-9(20)7-5-6(13)8(14)19(7)12(11,18)17-10(15)16-11/h5H,2-4H2,1H3,(H3,15,16,17)
InChIKey: WRPQWSIBDZEYMZ-UHFFFAOYSA-N
Reference
Bromopyrrole Carboxamide Biosynthetic Products from the Caribbean Sponge <i>Agelas </i><i>dispar</i>
PubChem CID: 162890108
LOTUS: LTS0149042
COCONUT: CNP0156954.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas dispar | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 419.077
TPSA？: 82.38
MolLogP？: 1.34327
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|