ID | 3412 |
Name | Thalmine |
Pubchem ID | 442366 |
KEGG ID | C09659 |
Source | Thalictrum |
Type | Natural |
Function | Anti-inflammatory |
Drug Like Properties | No |
Molecular Weight | 608.72 |
Exact mass | 608.288637 |
Molecular formula | C37H40N2O6 |
XlogP | 6.3 |
Topological Polar Surface Area | 72.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)O)OC)C=C5)OC |
Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)O)OC)C=C5)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |