| Phytochemical Name : 3-Acetylnerbowdine |
| PCNDIDOT0751 |
| Pubchem CID : 441582 |
| Molecular formula: C19H23NO6 |
| Canonical SMILES : CC(=O)OC1CC2C3(CCN2CC4=C(C5=C(C=C43)OCO5)OC)C(C1)O |
Synonymes : 3-Acetylnerbowdine|100196-22-3|C08514|[(1S,13R,15R,17R)-17-hydroxy-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-15-yl] acetate|AC1L9BCV|CHEBI:1446|DTXSID50331593|Q27105459 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.910 |
| Log Po/w (XLOGP3) : 1.400 |
| Log Po/w (WLOGP) : 0.800 |
| Log Po/w (MLOGP) : 1.260 |
| Log Po/w (SILICOS-IT) : 1.730 |
| Consensus Log Po/w : 1.620 |