Record No. 1 of 14

ID1940
NameCorpaine
Pubchem ID442197
KEGG IDC09393
SourceCorydalis caucasia
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesYes
Molecular Weight369.37
Exact mass369.121237
Molecular formulaC20H19NO6
XlogP1.7
Topological Polar Surface Area88.5
H-Bond Donor2
H-Bond Acceptor7
Rotational Bond Count1
IUPAC Name(1S,8'S)-7,8'-dihydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C13C(C4=C(C3=O)C=CC5=C4OCO5)O)O)OC
Isomeric SMILECN1CCC2=CC(=C(C=C2[C@@]13[C@H](C4=C(C3=O)C=CC5=C4OCO5)O)O)OC
Drugpediawiki
References1. Sener,Int.J.Crude Drugs,27,(1989),161
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 14

ID1941
NameCorpaine
Pubchem ID442197
KEGG IDC09393
SourceCorydalis majori
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesYes
Molecular Weight369.37
Exact mass369.121237
Molecular formulaC20H19NO6
XlogP1.7
Topological Polar Surface Area88.5
H-Bond Donor2
H-Bond Acceptor7
Rotational Bond Count1
IUPAC Name(1S,8'S)-7,8'-dihydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C13C(C4=C(C3=O)C=CC5=C4OCO5)O)O)OC
Isomeric SMILECN1CCC2=CC(=C(C=C2[C@@]13[C@H](C4=C(C3=O)C=CC5=C4OCO5)O)O)OC
Drugpediawiki
References1. Allais,Plant Med.Phytother,22,(1988),219
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 14

ID1942
NameCorpaine
Pubchem ID442197
KEGG IDC09393
SourceCorydalis paczoskii
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesYes
Molecular Weight369.37
Exact mass369.121237
Molecular formulaC20H19NO6
XlogP1.7
Topological Polar Surface Area88.5
H-Bond Donor2
H-Bond Acceptor7
Rotational Bond Count1
IUPAC Name(1S,8'S)-7,8'-dihydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C13C(C4=C(C3=O)C=CC5=C4OCO5)O)O)OC
Isomeric SMILECN1CCC2=CC(=C(C=C2[C@@]13[C@H](C4=C(C3=O)C=CC5=C4OCO5)O)O)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 4 of 14

ID1943
NameCorpaine
Pubchem ID442197
KEGG IDC09393
SourceCorydalis solida
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesYes
Molecular Weight369.37
Exact mass369.121237
Molecular formulaC20H19NO6
XlogP1.7
Topological Polar Surface Area88.5
H-Bond Donor2
H-Bond Acceptor7
Rotational Bond Count1
IUPAC Name(1S,8'S)-7,8'-dihydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C13C(C4=C(C3=O)C=CC5=C4OCO5)O)O)OC
Isomeric SMILECN1CCC2=CC(=C(C=C2[C@@]13[C@H](C4=C(C3=O)C=CC5=C4OCO5)O)O)OC
Drugpediawiki
References1. Sener,J.Chem.Soc.Pak.,13,(1991),63
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 5 of 14

ID1982
NameDaphnandrine
Pubchem ID442214
KEGG IDC09415
SourceAnisocycla cymosa
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesNo
Molecular Weight594.70
Exact mass594.272987
Molecular formulaC36H38N2O6
XlogP5.9
Topological Polar Surface Area81.7
H-Bond Donor2
H-Bond Acceptor8
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC
Drugpediawiki
References1. Kanyinda,J.Nat.Prod.,56,(1993),618
2. Kanyinda,J.Nat.Prod.,56,(1993),957
3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
4. Source  
5. Function  
6. All Records  
Record No. 6 of 14

ID1983
NameDaphnandrine
Pubchem ID442214
KEGG IDC09415
SourceDaphnandra micrantha
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesNo
Molecular Weight594.70
Exact mass594.272987
Molecular formulaC36H38N2O6
XlogP5.9
Topological Polar Surface Area81.7
H-Bond Donor2
H-Bond Acceptor8
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 7 of 14

ID1984
NameDaphnandrine
Pubchem ID442214
KEGG IDC09415
SourceDoryphora aromatica
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesNo
Molecular Weight594.70
Exact mass594.272987
Molecular formulaC36H38N2O6
XlogP5.9
Topological Polar Surface Area81.7
H-Bond Donor2
H-Bond Acceptor8
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 8 of 14

ID1985
NameDaphnandrine
Pubchem ID442214
KEGG IDC09415
SourceStephania erecta
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesNo
Molecular Weight594.70
Exact mass594.272987
Molecular formulaC36H38N2O6
XlogP5.9
Topological Polar Surface Area81.7
H-Bond Donor2
H-Bond Acceptor8
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC
Drugpediawiki
References1. Likhitwitayawuid,J.Nat.Prod.,56,(1993),30
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 9 of 14

ID1986
NameDaphnandrine
Pubchem ID442214
KEGG IDC09415
SourceStephania pierrei
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesNo
Molecular Weight594.70
Exact mass594.272987
Molecular formulaC36H38N2O6
XlogP5.9
Topological Polar Surface Area81.7
H-Bond Donor2
H-Bond Acceptor8
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 10 of 14

ID2066
NameEmetine
Pubchem ID10219
KEGG IDC09421
SourceUragoga ipecacuanha
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesYes
Molecular Weight480.64
Exact mass480.298808
Molecular formulaC29H40N2O4
XlogP4.7
Topological Polar Surface Area52.2
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count7
IUPAC Name(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILECC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 11 of 14

ID2067
NameEmetine
Pubchem ID10219
KEGG IDC09421
SourceUragoga acuminata
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesYes
Molecular Weight480.64
Exact mass480.298808
Molecular formulaC29H40N2O4
XlogP4.7
Topological Polar Surface Area52.2
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count7
IUPAC Name(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILECC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 12 of 14

ID2068
NameEmetine
Pubchem ID10219
KEGG IDC09421
SourceAlangium longiflorum
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesYes
Molecular Weight480.64
Exact mass480.298808
Molecular formulaC29H40N2O4
XlogP4.7
Topological Polar Surface Area52.2
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count7
IUPAC Name(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILECC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Drugpediawiki
References1. Sakurai,Phytochem.,67,(2006),894
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 13 of 14

ID2069
NameEmetine
Pubchem ID10219
KEGG IDC09421
SourceCephaelis acuminata
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesYes
Molecular Weight480.64
Exact mass480.298808
Molecular formulaC29H40N2O4
XlogP4.7
Topological Polar Surface Area52.2
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count7
IUPAC Name(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILECC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 14 of 14

ID2070
NameEmetine
Pubchem ID10219
KEGG IDC09421
SourceCephaelis ipecacuanha
TypeNatural
FunctionAntiprotozoal
Drug Like PropertiesYes
Molecular Weight480.64
Exact mass480.298808
Molecular formulaC29H40N2O4
XlogP4.7
Topological Polar Surface Area52.2
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count7
IUPAC Name(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILECC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records