| Phytochemical Name : Dehydrocrebanine |
| PCNDIDD0037 |
| Pubchem CID : 149600 |
| Molecular formula: C20H19NO4 |
| Canonical SMILES : CN1CCC2=CC3=C(C4=C5C=CC(=C(C5=CC1=C24)OC)OC)OCO3 |
Synonymes : Dehydrocrebanine|77784-22-6|CCRIS 3812|6,7-Dihydro-9,10-dimethoxy-7-methyl-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline|15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,15,17-heptaene|5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7-dihydro-9,10-dimethoxy-7-methyl-|6,7-Dihydro-9,10-dimethoxy-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline|DTXSID60228400|AKOS032948441|LS-33657|B2703-188596|15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6.0^{8,20.0^{14,19]icosa-1(19),2(6),7,12(20),13,15,17-heptaene |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.550 |
| Log Po/w (XLOGP3) : 2.130 |
| Log Po/w (WLOGP) : 1.680 |
| Log Po/w (MLOGP) : 1.900 |
| Log Po/w (SILICOS-IT) : 1.700 |
| Consensus Log Po/w : 1.790 |