Oxysceptrine; Monodebromo
AlkaPlorer ID: AK309112
Synonym: Debromooxysceptrine
IUPAC Name: None
Structure
SMILES: NC1=NC(C2C(CNC(=O)C3=CC=CN3)C(CNC(=O)C3=CC(Br)=CN3)C2C2=CNC(N)=N2)C(=O)N1
InChI: InChI=1S/C22H25BrN10O3/c23-9-4-13(27-5-9)19(35)29-6-10-11(7-28-18(34)12-2-1-3-26-12)16(17-20(36)33-22(25)32-17)15(10)14-8-30-21(24)31-14/h1-5,8,10-11,15-17,26-27H,6-7H2,(H,28,34)(H,29,35)(H3,24,30,31)(H3,25,32,33,36)
InChIKey: UKAJFGNJLXEAKI-UHFFFAOYSA-N
Reference
CAS: 132911-41-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas clathrodes | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Agelas mauritiana | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Agelas conifera | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 557.4130000000001
TPSA？: 211.95999999999995
MolLogP？: 0.0295
Number of H-Donors: 8
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|