Record No. 1 of 1

ID2843
NameOBABERINE
Pubchem ID100231
KEGG IDC09596
SourceAlbertisia papuana
TypeNatural
FunctionAntitrypanosomal
Drug Like PropertiesNo
Molecular Weight622.75
Exact mass622.304287
Molecular formulaC38H42N2O6
XlogP6.7
Topological Polar Surface Area61.9
H-Bond Donor0
H-Bond Acceptor8
Rotational Bond Count4
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)OC
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)OC
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References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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