Record No. 1 of 2

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
2. Source  
3. Function  
4. All Records  
Record No. 2 of 2

ID2937
NamePilocercine
Pubchem ID228285
KEGG IDC09609
SourceLophocereus schottii
TypeNatural
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight744.01
Exact mass743.487337
Molecular formulaC45H65N3O6
XlogP9.3
Topological Polar Surface Area76.1
H-Bond Donor1
H-Bond Acceptor9
Rotational Bond Count13
IUPAC Name6-methoxy-8-[[6-methoxy-8-[[6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-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)OC3=C4C(N(CCC4=CC(=C3OC5=C6C(N(CCC6=CC(=C5O)OC)C)CC(C)C)OC)C)CC(C)C
Isomeric SMILEN/A
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records