monobromophakellin
AlkaPlorer ID: AK171996
Synonym: None
IUPAC Name: (1S,5S)-3-amino-8-bromo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-3,7,9-trien-11-one
Structure
SMILES: NC1=N[C@@]23CCCN2C(=O)C2=CC(Br)=CN2[C@H]3N1
InChI: InChI=1S/C11H12BrN5O/c12-6-4-7-8(18)17-3-1-2-11(17)9(16(7)5-6)14-10(13)15-11/h4-5,9H,1-3H2,(H3,13,14,15)/t9-,11+/m1/s1
InChIKey: ANCHLEBCUYPRNH-KOLCDFICSA-N
Reference
Bromopyrrole Carboxamide Biosynthetic Products from the Caribbean Sponge <i>Agelas </i><i>dispar</i>
PubChem CID: 101837578
LOTUS: LTS0164745
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas dispar | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 310.155
TPSA？: 75.64999999999999
MolLogP？: 0.6129999999999993
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|