BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1752
NameCID3070972
Pubchem ID3070972
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight482.01
Exact mass481.201986
Molecular formulaC28H32ClNO4
XlogPN/A
Topological Polar Surface Area40.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count5
IUPAC Name2,3,10,11-tetramethoxy-6-(4-methylphenyl)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1=CC=C(C=C1)C2CC3=CC(=C(C=C3C4N2CC5=CC(=C(C=C5C4)OC)OC)OC)OC.Cl
Isomeric SMILEN/A
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