ID | 3434 |
Name | Tiliacorine |
Pubchem ID | 442369 |
KEGG ID | C09667 |
Source | Tiliacora triandra |
Type | Natural |
Function | Antimalarial |
Drug Like Properties | No |
Molecular Weight | 576.68 |
Exact mass | 576.262422 |
Molecular formula | C36H36N2O5 |
XlogP | 6.1 |
Topological Polar Surface Area | 63.6 |
H-Bond Donor | 1 |
H-Bond Acceptor | 7 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)O)C6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC |
Isomeric SMILE | CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)O)C6=C(C=CC(=C6)C[C@H]7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |