Record No. 1 of 5

ID1097
NameAlangicine
Pubchem ID5460436
KEGG IDC09327
SourceAlangium lamarckii
TypeNatural
FunctionAnthelmintic
Drug Like PropertiesYes
Molecular Weight480.60
Exact mass480.262422
Molecular formulaC28H36N2O5
XlogP3.6
Topological Polar Surface Area80.3
H-Bond Donor2
H-Bond Acceptor7
Rotational Bond Count6
IUPAC Name1-[[(2R,3R,11bS)-3-ethyl-8-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCC1CN2CCC3=C(C(=C(C=C3C2CC1CC4=C5C=C(C(=O)C=C5CCN4)OC)OC)OC)O
Isomeric SMILECC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1CC4=C5C=C(C(=O)C=C5CCN4)OC)OC)OC)O
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 2 of 5

ID1099
NameAlangimarckine
Pubchem ID442159
KEGG IDC09328
SourceAlangium lamarckii
TypeNatural
FunctionAnthelmintic
Drug Like PropertiesYes
Molecular Weight475.62
Exact mass475.283492
Molecular formulaC29H37N3O3
XlogP4.6
Topological Polar Surface Area69.8
H-Bond Donor3
H-Bond Acceptor5
Rotational Bond Count5
IUPAC Name(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-8-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCC1CN2CCC3=C(C(=C(C=C3C2CC1CC4C5=C(CCN4)C6=CC=CC=C6N5)OC)OC)O
Isomeric SMILECC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=C(CCN4)C6=CC=CC=C6N5)OC)OC)O
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 3 of 5

ID1103
NameAlangiside
Pubchem ID442161
KEGG IDC09330
SourceAlangium kurzii
TypeNatural
FunctionAnthelmintic
Drug Like PropertiesNo
Molecular Weight505.51
Exact mass505.194796
Molecular formulaC25H31NO10
XlogP-0.1
Topological Polar Surface Area158
H-Bond Donor5
H-Bond Acceptor10
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C3CC4C(C(OC=C4C(=O)N3CCC2=C1)OC5C(C(C(C(O5)CO)O)O)O)C=C)O
Isomeric SMILECOC1=C(C=C2[C@H]3C[C@H]4[C@H]([C@@H](OC=C4C(=O)N3CCC2=C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C)O
Drugpediawiki
References1. Takahashi,Chem.Pharm.Bull.,48,(2000),415
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 5

ID1104
NameAlangiside
Pubchem ID442161
KEGG IDC09330
SourceAlangium lamarckii
TypeNatural
FunctionAnthelmintic
Drug Like PropertiesNo
Molecular Weight505.51
Exact mass505.194796
Molecular formulaC25H31NO10
XlogP-0.1
Topological Polar Surface Area158
H-Bond Donor5
H-Bond Acceptor10
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C3CC4C(C(OC=C4C(=O)N3CCC2=C1)OC5C(C(C(C(O5)CO)O)O)O)C=C)O
Isomeric SMILECOC1=C(C=C2[C@H]3C[C@H]4[C@H]([C@@H](OC=C4C(=O)N3CCC2=C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C)O
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 5 of 5

ID1105
NameAlangiside
Pubchem ID442161
KEGG IDC09330
SourceAlangium longiflorum
TypeNatural
FunctionAnthelmintic
Drug Like PropertiesNo
Molecular Weight505.51
Exact mass505.194796
Molecular formulaC25H31NO10
XlogP-0.1
Topological Polar Surface Area158
H-Bond Donor5
H-Bond Acceptor10
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C3CC4C(C(OC=C4C(=O)N3CCC2=C1)OC5C(C(C(C(O5)CO)O)O)O)C=C)O
Isomeric SMILECOC1=C(C=C2[C@H]3C[C@H]4[C@H]([C@@H](OC=C4C(=O)N3CCC2=C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C)O
Drugpediawiki
References1. Source  
2. Function  
3. All Records