methyl 12-amino-4-bromo-7-oxo-5,8,11,13-tetraazatricyclo[8.4.0.0²,?]tetradeca-1(10),2(6),3,11,13-pentaene-14-carboxylate
AlkaPlorer ID: AK041569
Synonym: None
IUPAC Name: methyl 12-amino-4-bromo-7-oxo-5,8,11,13-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-14-carboxylate
Structure
SMILES: COC(=O)C1=NC(=N)NC2=C1C1=C(NC(Br)=C1)C(=O)NC2
InChI: InChI=1S/C12H10BrN5O3/c1-21-11(20)9-7-4-2-6(13)17-8(4)10(19)15-3-5(7)16-12(14)18-9/h2,17H,3H2,1H3,(H,15,19)(H2,14,16,18)
InChIKey: BMWOCQVKJMSXMM-UHFFFAOYSA-N
Reference
New bioactive alkaloids from the marine sponge Stylissa sp.
PubChem CID: 71496944
LOTUS: LTS0079981
COCONUT: CNP0118034
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Dictyonellidae | Bubarida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 352.1480000000001
TPSA？: 123.72
MolLogP？: 0.6767700000000004
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|