BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1680
NameCapaurine
Pubchem ID94149
KEGG IDC09371
SourceStephania kwangsiensis
TypeNatural
FunctionUterine stimulant
Drug Like PropertiesYes
Molecular Weight371.43
Exact mass371.173273
Molecular formulaC21H25NO5
XlogP2.9
Topological Polar Surface Area60.4
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count4
IUPAC Name(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
Isomeric SMILECOC1=C(C2=C(C[C@H]3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
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