Record No. 1 of 1

ID3434
NameTiliacorine
Pubchem ID442369
KEGG IDC09667
SourceTiliacora triandra
TypeNatural
FunctionAntimalarial
Drug Like PropertiesNo
Molecular Weight576.68
Exact mass576.262422
Molecular formulaC36H36N2O5
XlogP6.1
Topological Polar Surface Area63.6
H-Bond Donor1
H-Bond Acceptor7
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)O)C6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC
Isomeric SMILECN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)O)C6=C(C=CC(=C6)C[C@H]7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC
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