Record No. 1 of 1

ID2260
NameGyrocarpine
Pubchem ID175902
KEGG IDC09458
SourceGyrocarpus americanus
TypeNatural
FunctionAntitrypanosomal
Drug Like PropertiesNo
Molecular Weight608.72
Exact mass608.288637
Molecular formulaC37H40N2O6
XlogP6.3
Topological Polar Surface Area72.9
H-Bond Donor1
H-Bond Acceptor8
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)O
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)O
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References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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