Record No. 1 of 1

ID2556
NameLophophorine
Pubchem ID442315
KEGG IDC09573
SourceLophophora williamsii
TypeNatural
FunctionConvulsions
Drug Like PropertiesYes
Molecular Weight235.28
Exact mass235.120843
Molecular formulaC13H17NO3
XlogP2
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC Name(9S)-4-methoxy-8,9-dimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1C2=C3C(=C(C=C2CCN1C)OC)OCO3
Isomeric SMILEC[C@H]1C2=C3C(=C(C=C2CCN1C)OC)OCO3
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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