Record No. 1 of 2

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. 2 of 2

ID1159
NameAnkorine
Pubchem ID442166
KEGG IDC09337
SourceAlangium kurzii
TypeNatural
FunctionHypotensive
Drug Like PropertiesYes
Molecular Weight335.44
Exact mass335.209658
Molecular formulaC19H29NO4
XlogP2.6
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count5
IUPAC Name(2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-9,10-dimethoxy-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=C3C2CC1CCO)OC)OC)O
Isomeric SMILECC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1CCO)OC)OC)O
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records