| ID | 3502 |
| Name | Xylopinine |
| Pubchem ID | 226520 |
| KEGG ID | C09671 |
| Source | Xylopia buxifolia |
| Type | Natural |
| Function | Adrenergic alpha-blocker |
| Drug Like Properties | Yes |
| Molecular Weight | 355.43 |
| Exact mass | 355.178358 |
| Molecular formula | C21H25NO4 |
| XlogP | 3.2 |
| Topological Polar Surface Area | 40.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 4 |
| IUPAC Name | (13aS)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC |
| Isomeric SMILE | COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |