BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2555
NameLophocerine
Pubchem ID442313
KEGG IDC09571
SourceLophocereus schottii
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight249.35
Exact mass249.172879
Molecular formulaC15H23NO2
XlogP3.1
Topological Polar Surface Area32.7
H-Bond Donor1
H-Bond Acceptor3
Rotational Bond Count3
IUPAC Name6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(C)CC1C2=CC(=C(C=C2CCN1C)OC)O
Isomeric SMILEN/A
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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