BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2038
NameDihydrotoxiferin
Pubchem ID6444491
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight582.82
Exact mass582.372247
Molecular formulaC40H46N4+2
XlogP4.3
Topological Polar Surface Area6.5
H-Bond Donor0
H-Bond Acceptor2
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC=C1C[N+]2(CCC34C2CC1C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CC)C)C1=CC=CC=C16)C
Isomeric SMILEC/C=C1/C2/C/3=C/N4C5=CC=CC=C5C67C4/C(=CN8C3C9(C3=CC=CC=C83)C(C2)[N+](C1)(CC9)C)/C1/C(=C/C)/C[N+](C6C1)(CC7)C
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