Record No. 1 of 3

ID1119
NameAllocryptopine
Pubchem ID98570
KEGG IDC02134
SourceCorydalis pallida
TypeNatural
FunctionOxytocic agent
Drug Like PropertiesYes
Molecular Weight369.41
Exact mass369.157623
Molecular formulaC21H23NO5
XlogP2.9
Topological Polar Surface Area57.2
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
Isomeric SMILEN/A
Drugpediawiki
References1. Lu,Phytochem.,28,(1989),1245
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 3

ID1685
NameCapaurine
Pubchem ID94149
KEGG IDC09371
SourceCorydalis pallida
TypeNatural
FunctionUterine stimulant
Drug Like PropertiesYes
Molecular Weight371.43
Exact mass371.173273
Molecular formulaC21H25NO5
XlogP2.9
Topological Polar Surface Area60.4
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count4
IUPAC Name(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
Isomeric SMILECOC1=C(C2=C(C[C@H]3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 3 of 3

ID2984
NameProtopine
Pubchem ID4970
KEGG IDC05189
SourceCorydalis pallida
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. Lu,Phytochem.,28,(1989),1245
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records