| Phytochemical Name : Dehydroaporheine |
| PCNDIDD0029 |
| Pubchem CID : 161899 |
| Molecular formula: C18H15NO2 |
| Canonical SMILES : CN1CCC2=CC3=C(C4=C2C1=CC5=CC=CC=C54)OCO3 |
Synonymes : Dehydroroemerine|Dehydroaporheine|36285-03-7|5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7-dihydro-7-methyl-|Dehydroremerine|5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7-dihydro-7-methyl-|6a,7-Didehydroaporheine|NM8T4WQ4VZ|CHEMBL1171263|DTXSID60957662|CHEBI:185629|BDBM50366292|6,7-Dihydro-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline|7-Methyl-6,7-dihydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline|11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1,6,8(20),12,14,16,18-heptaene|11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.040 |
| Log Po/w (XLOGP3) : 1.460 |
| Log Po/w (WLOGP) : 0.770 |
| Log Po/w (MLOGP) : 0.010 |
| Log Po/w (SILICOS-IT) : 0.930 |
| Consensus Log Po/w : 0.840 |