Record No. 1 of 5

ID2261
NameHasubanonine
Pubchem ID628879
KEGG IDN/A
SourceStephania japonica
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight373.44
Exact mass373.188923
Molecular formulaC21H27NO5
XlogP2.1
Topological Polar Surface Area57.2
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C1(CCC4=C2C(=C(C=C4)OC)OC)C(=C(C(=O)C3)OC)OC
Isomeric SMILEN/A
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Record No. 2 of 5

ID2279
NameHomotrilobin
Pubchem ID33352
KEGG IDN/A
SourceStephania japonica
TypeNatural
FunctionAntimalarial
Drug Like PropertiesNo
Molecular Weight576.68
Exact mass576.262422
Molecular formulaC36H36N2O5
XlogP6.3
Topological Polar Surface Area52.6
H-Bond Donor0
H-Bond Acceptor7
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7C)O4)OC)OC
Isomeric SMILEN/A
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Record No. 3 of 5

ID2280
NameHomotrilobin
Pubchem ID33352
KEGG IDN/A
SourceStephania japonica
TypeNatural
FunctionAnti-amoebic
Drug Like PropertiesNo
Molecular Weight576.68
Exact mass576.262422
Molecular formulaC36H36N2O5
XlogP6.3
Topological Polar Surface Area52.6
H-Bond Donor0
H-Bond Acceptor7
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7C)O4)OC)OC
Isomeric SMILEN/A
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Record No. 4 of 5

ID3366
NameTetrandrine
Pubchem ID73078
KEGG IDC09654
SourceStephania japonica
TypeNatural
FunctionAnti-inflammatory
Drug Like PropertiesNo
Molecular Weight622.75
Exact mass622.304287
Molecular formulaC38H42N2O6
XlogP6.4
Topological Polar Surface Area61.9
H-Bond Donor0
H-Bond Acceptor8
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Isomeric SMILECN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
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Record No. 5 of 5

ID3374
NameTetrandrine
Pubchem ID73078
KEGG IDC09654
SourceStephania japonica
TypeNatural
FunctionAntifibrotic
Drug Like PropertiesNo
Molecular Weight622.75
Exact mass622.304287
Molecular formulaC38H42N2O6
XlogP6.4
Topological Polar Surface Area61.9
H-Bond Donor0
H-Bond Acceptor8
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Isomeric SMILECN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
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