methyl 12-amino-3,4-dibromo-7-oxo-5,8,11,13-tetraazatricyclo[8.4.0.0²,?]tetradeca-1(10),2(6),3,11,13-pentaene-14-carboxylate
AlkaPlorer ID: AK041665
Synonym: None
IUPAC Name: methyl 12-amino-3,4-dibromo-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)=C1Br)C(=O)NC2
InChI: InChI=1S/C12H9Br2N5O3/c1-22-11(21)8-4-3(17-12(15)19-8)2-16-10(20)7-5(4)6(13)9(14)18-7/h18H,2H2,1H3,(H,16,20)(H2,15,17,19)
InChIKey: SFCMPVWUVZLOFH-UHFFFAOYSA-N
Reference
New bioactive alkaloids from the marine sponge Stylissa sp.
PubChem CID: 25168132
LOTUS: LTS0268421
COCONUT: CNP0135053
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Dictyonellidae | Bubarida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 431.0440000000001
TPSA？: 123.72
MolLogP？: 1.4392700000000005
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|