ID | 3445 |
Name | Trilobine |
Pubchem ID | 169007 |
KEGG ID | C09669 |
Source | Anisocycla jollyana |
Type | Natural |
Function | Antiplatelet |
Drug Like Properties | No |
Molecular Weight | 562.65 |
Exact mass | 562.246772 |
Molecular formula | C35H34N2O5 |
XlogP | 5.9 |
Topological Polar Surface Area | 61.4 |
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)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6 |
Isomeric SMILE | CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)OC)OC6=CC=C(C[C@H]7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6 |
Drugpedia | wiki |
References | 1. Karimov,Khim.Prir.Soedin.,(1993),394 2. Karimov,Khim.Prir.Soedin.,(1993),397 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records |