Variolin B; 5'-Hydroxy, 1'-Me (zwitterion)
AlkaPlorer ID: AK317404
Synonym: Variolin A
IUPAC Name: 13-amino-8-(5-hydroxy-2-imino-1-methylpyrimidin-4-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),4,8,10,12-pentaen-6-one
Structure
SMILES: C[N+]1=CC([O-])=C(C2=C3C=CN=C(N)N3C3=NC=CC(O)=C23)N=C1N
InChI: InChI=1S/C15H13N7O2/c1-21-6-9(24)12(20-15(21)17)10-7-2-4-19-14(16)22(7)13-11(10)8(23)3-5-18-13/h2-6H,1H3,(H5,16,17,18,19,20,23,24)
InChIKey: DVFGBCFKUZPOMS-UHFFFAOYSA-N
Reference
CAS: 155416-43-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Kirkpatrickia | Hymedesmiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 323.3160000000001
TPSA？: 142.29
MolLogP？: -0.2874000000000005
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|