ID | 2575 |
Name | Macoline |
Pubchem ID | 442321 |
KEGG ID | C09580 |
Source | Abuta grisebachii |
Type | Natural |
Function | muscle relaxant |
Drug Like Properties | No |
Molecular Weight | 609.73 |
Exact mass | 609.296462 |
Molecular formula | C37H41N2O6+ |
XlogP | 6 |
Topological Polar Surface Area | 80.6 |
H-Bond Donor | 2 |
H-Bond Acceptor | 7 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)O)OC5=CC=C(CC6C7=C(O3)C(=C(C=C7CC[N+]6(C)C)OC)O)C=C5)OC |
Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=C(C=C4)O)OC5=CC=C(C[C@@H]6C7=C(O3)C(=C(C=C7CC[N+]6(C)C)OC)O)C=C5)OC |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |