Record No. 1 of 3

ID2052
NameDL-Laudanine
Pubchem ID442304
KEGG IDC09555
SourceStephania bancroftii
TypeNatural
FunctionConvulsions
Drug Like PropertiesYes
Molecular Weight343.42
Exact mass343.178358
Molecular formulaC20H25NO4
XlogP3.3
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count5
IUPAC Name5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)OC)OC
Drugpediawiki
References1. Blanchfield,Nat.Prod.Lett.,3,(1993),305
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
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Record No. 2 of 3

ID3311
NameTetrahydropalmatine
Pubchem ID72301
KEGG IDC02890
SourceStephania bancroftii
TypeNatural
FunctionCytotoxic
Drug Like PropertiesYes
Molecular Weight355.43
Exact mass355.178358
Molecular formulaC21H25NO4
XlogP3.2
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC Name(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILECOC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 3 of 3

ID3334
NameTetrahydropalmatine
Pubchem ID72301
KEGG IDC02890
SourceStephania bancroftii
TypeNatural
FunctionTranquilizer
Drug Like PropertiesYes
Molecular Weight355.43
Exact mass355.178358
Molecular formulaC21H25NO4
XlogP3.2
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC Name(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILECOC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records