Record No. 1 of 1

ID3444
NameTrilobine
Pubchem ID169007
KEGG IDC09669
SourceAnisocycla grandidieri
TypeNatural
FunctionAntiplatelet
Drug Like PropertiesNo
Molecular Weight562.65
Exact mass562.246772
Molecular formulaC35H34N2O5
XlogP5.9
Topological Polar Surface Area61.4
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)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Isomeric SMILECN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)OC)OC6=CC=C(C[C@H]7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
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References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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