BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID3229
NameSpinosine
Pubchem ID177294
KEGG IDN/A
SourceAnnona spinescens
TypeNatural
FunctionAntitrypanosomal
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.6
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count2
IUPAC Name(13aS)-2,3-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-10,11-diol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)OC
Isomeric SMILECOC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)OC
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