ID | 1103 |
Name | Alangiside |
Pubchem ID | 442161 |
KEGG ID | C09330 |
Source | Alangium kurzii |
Type | Natural |
Function | Anthelmintic |
Drug Like Properties | No |
Molecular Weight | 505.51 |
Exact mass | 505.194796 |
Molecular formula | C25H31NO10 |
XlogP | -0.1 |
Topological Polar Surface Area | 158 |
H-Bond Donor | 5 |
H-Bond Acceptor | 10 |
Rotational Bond Count | 5 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C=C2C3CC4C(C(OC=C4C(=O)N3CCC2=C1)OC5C(C(C(C(O5)CO)O)O)O)C=C)O |
Isomeric SMILE | COC1=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 |
Drugpedia | wiki |
References | 1. 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 |
ID | 1159 |
Name | Ankorine |
Pubchem ID | 442166 |
KEGG ID | C09337 |
Source | Alangium kurzii |
Type | Natural |
Function | Hypotensive |
Drug Like Properties | Yes |
Molecular Weight | 335.44 |
Exact mass | 335.209658 |
Molecular formula | C19H29NO4 |
XlogP | 2.6 |
Topological Polar Surface Area | 62.2 |
H-Bond Donor | 2 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 5 |
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 SMILE | CCC1CN2CCC3=C(C(=C(C=C3C2CC1CCO)OC)OC)O |
Isomeric SMILE | CC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1CCO)OC)OC)O |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |