BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID3438
NameToxiferine IV
Pubchem ID6444552
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight648.83
Exact mass648.367556
Molecular formulaC40H48N4O4+2
XlogP1.2
Topological Polar Surface Area87.4
H-Bond Donor4
H-Bond Acceptor6
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]12CCC34C1CC(C5C3(N(C6C5N7C8=CC=CC=C8C91C7(C6C3CC9[N+](CC1)(CC3=CCO)C)O)C1=CC=CC=C41)O)C(=CCO)C2
Isomeric SMILEC[N+]12C3C4(C5(N(C6=CC=CC=C46)C7C(C5C(C3)/C(=C/CO)/C1)N8C9(C7C1/C(=C/CO)/C[N+]3(C(C9(C4=CC=CC=C84)CC3)C1)C)O)O)CC2
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