Record No. 1 of 4

ID1801
NameCoclaurine
Pubchem ID160487
KEGG IDC06161
SourceStephania pierii
TypeNatural
FunctionAnti-HIV
Drug Like PropertiesYes
Molecular Weight285.34
Exact mass285.136493
Molecular formulaC17H19NO3
XlogP2.6
Topological Polar Surface Area61.7
H-Bond Donor3
H-Bond Acceptor4
Rotational Bond Count3
IUPAC Name(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O
Isomeric SMILECOC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O
Drugpediawiki
References1. Tantisewie,J.Nat.Prod.,52,(1989),846
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 4

ID2351
NameIsocorydine
Pubchem ID10143
KEGG IDC09549
SourceStephania pierii
TypeNatural
FunctionCalcium channel blocker
Drug Like PropertiesYes
Molecular Weight341.40
Exact mass341.162708
Molecular formulaC20H23NO4
XlogP2.6
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpediawiki
References1. Tantisewie,J.Nat.Prod.,52,(1989),846
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 4

ID2398
NameIsocorydine
Pubchem ID10143
KEGG IDC09549
SourceStephania pierii
TypeNatural
FunctionSedative
Drug Like PropertiesYes
Molecular Weight341.40
Exact mass341.162708
Molecular formulaC20H23NO4
XlogP2.6
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpediawiki
References1. Tantisewie,J.Nat.Prod.,52,(1989),846
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 4

ID3078
NameReticuline
Pubchem ID10233
KEGG IDC12328
SourceStephania pierii
TypeNatural
FunctionDopamine Antagonist
Drug Like PropertiesYes
Molecular Weight329.39
Exact mass329.162708
Molecular formulaC19H23NO4
XlogP3
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count4
IUPAC Name1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Tantisewie,J.Nat.Prod.,52,(1989),846
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records