BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2930
NamePessoine
Pubchem ID181940
KEGG IDN/A
SourceAnnona spinescens
TypeNatural
FunctionLeishmanicidal
Drug Like PropertiesYes
Molecular Weight313.35
Exact mass313.131408
Molecular formulaC18H19NO4
XlogP2.3
Topological Polar Surface Area73.2
H-Bond Donor3
H-Bond Acceptor5
Rotational Bond Count1
IUPAC Name(13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)O
Isomeric SMILECOC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)O
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