ID | 1184 |
Name | Anonaine |
Pubchem ID | 160597 |
KEGG ID | C09339 |
Source | Xylopia parviflora |
Type | Natural |
Function | Smooth muscle relaxant |
Drug Like Properties | Yes |
Molecular Weight | 265.31 |
Exact mass | 265.110279 |
Molecular formula | C17H15NO2 |
XlogP | 2.8 |
Topological Polar Surface Area | 30.5 |
H-Bond Donor | 1 |
H-Bond Acceptor | 3 |
Rotational Bond Count | 0 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
Isomeric SMILE | C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
Drugpedia | wiki |
References | 1. Nishiyama,Phytochem.,67,(2006),2671 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |