Record No. 1 of 1

ID1561
NameBisnordihydrotoxiferine
Pubchem ID6440874
KEGG IDN/A
SourceStrychnos trinervis
TypeNatural
FunctionAnticathartic
Drug Like PropertiesNo
Molecular Weight552.75
Exact mass552.325297
Molecular formulaC38H40N4
XlogP4.3
Topological Polar Surface Area13
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC=C1CN2CCC34C2CC1C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CCN1CC9=CC)C1=CC=CC=C16
Isomeric SMILEC/C=C/1C2/C/3=C/N4C5=CC=CC=C5C67C4/C(=CN8C3C9(C3=CC=CC=C83)C(C2)N(C1)CC9)/C1/C(=CC)/CN(C6C1)CC7
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