| Phytochemical Name : Roemerine |
| PCNDIDR0035 |
| Pubchem CID : 119204 |
| Molecular formula: C18H17NO2 |
| Canonical SMILES : CN1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3 |
Synonymes : Roemerine|548-08-3|Remerine (alkaloid)|Remerin|Roemerin|l-Roemerine|Remerine|(-)-Aporheine|CCRIS 3809|(-)-roemerine|(R)-7-Methyl-6,7,7a,8-tetrahydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]benzo[g]quinoline|6a-beta-Aporphine, 1,2-(methylenedioxy)-|Aporheine|CHEMBL602275|(7aR)-7-Methyl-6,7,7a,8-tetrahydro-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline|5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-7-methyl-, (7aR)-|(12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene|Roemerine-HBr|CHEMBL483825|SCHEMBL17906539|7-Methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline #|CHEBI:187105|DTXSID701031685|NP156|BDBM50306886|NSC785164|AKOS040760679|NSC-785164|NCGC00163613-01|LS-21481|MS-23964|XR165784|HY-121793|CS-0083311|E88931 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.080 |
| Log Po/w (XLOGP3) : 3.300 |
| Log Po/w (WLOGP) : 2.460 |
| Log Po/w (MLOGP) : 3.070 |
| Log Po/w (SILICOS-IT) : 3.750 |
| Consensus Log Po/w : 3.130 |