BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2184
NameGindarine hydrochloride
Pubchem ID24184859
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight390.88
Exact mass390.147211
Molecular formulaC21H25ClNO4-
XlogPN/A
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count4
IUPAC Name(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline chloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC.[Cl-]
Isomeric SMILECOC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC.[Cl-]
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