Record No. 1 of 4

ID2177
NameFumaricine
Pubchem ID442236
KEGG IDC09444
SourceFumaria densiflora
TypeNatural
FunctionAnti-inflammatory
Drug Like PropertiesYes
Molecular Weight369.41
Exact mass369.157623
Molecular formulaC21H23NO5
XlogP2.3
Topological Polar Surface Area60.4
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count2
IUPAC Name(1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C13CC4=C(C3O)C5=C(C=C4)OCO5)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C=C2[C@@]13CC4=C([C@@H]3O)C5=C(C=C4)OCO5)OC)OC
Drugpediawiki
References1. Sousek,Phytochem.Anal.,10,(1999),6
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 4

ID2997
NameProtopine
Pubchem ID4970
KEGG IDC05189
SourceFumaria densiflora
TypeNatural
FunctionAntibacterial
Drug Like PropertiesYes
Molecular Weight353.37
Exact mass353.126323
Molecular formulaC20H19NO5
XlogP2.8
Topological Polar Surface Area57.2
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3
Isomeric SMILEN/A
Drugpediawiki
References1. Toborska,Coo.Czech.Chem.Commun.,61,(1996),1064
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 4

ID3241
Name(S)-Scoulerine
Pubchem ID439654
KEGG IDC02106
SourceFumaria densiflora
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.6
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count2
IUPAC Name(13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O
Isomeric SMILECOC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O
Drugpediawiki
References1. Toborska,Coo.Czech.Chem.Commun.,61,(1996),1064
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 4

ID3287
NameStylopine
Pubchem ID440583
KEGG IDC05175
SourceFumaria densiflora
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight323.34
Exact mass323.115758
Molecular formulaC19H17NO4
XlogP3
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
Isomeric SMILEC1CN2CC3=C(C[C@H]2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
Drugpediawiki
References1. Sousek,Phytochem.Anal.,10,(1999),6
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records