| Phytochemical Name : CID 333544 |
| PCNDIDC0149 |
| Pubchem CID : 333544 |
| Molecular formula: C20H21NO4 |
| Canonical SMILES : CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)OC)OCO3 |
Synonymes : Crebanine|NSC335648|CHEMBL1989287|5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7,7a,8-tetrahydro-9,10-dimethoxy-7-methyl-, (7R)-|HY-N2255|s9182|AKOS037514600|CCG-267911|NSC-335648|MS-25170|NCI60_002939|CS-0019584 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.510 |
| Log Po/w (XLOGP3) : 3.240 |
| Log Po/w (WLOGP) : 2.480 |
| Log Po/w (MLOGP) : 2.380 |
| Log Po/w (SILICOS-IT) : 3.790 |
| Consensus Log Po/w : 3.080 |