BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2150
NameEthylester berbine
Pubchem ID633477
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight385.45
Exact mass385.188923
Molecular formulaC22H27NO5
XlogP1.8
Topological Polar Surface Area65.1
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count5
IUPAC Nameethyl2,3-dimethoxy-11-oxo-6,8,9,10,13,13a-hexahydro-5H-isoquinolino[3,2-a]isoquinoline-8a-carboxylate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCOC(=O)C12CCC(=O)C=C1CC3C4=CC(=C(C=C4CCN3C2)OC)OC
Isomeric SMILEN/A
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