BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1950
NameCorydaline
Pubchem ID101301
KEGG IDC15530
SourceCorydalis yanhusuo
TypeNatural
FunctionAcetylcholinesterase inhibitor
Drug Like PropertiesYes
Molecular Weight369.45
Exact mass369.194008
Molecular formulaC22H27NO4
XlogP3.6
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC Name(13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC
Isomeric SMILEC[C@@H]1[C@@H]2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC
Drugpediawiki
References1. Xu,Zhongguo Yaoke Daxue Xuebao,33,(2002),483
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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