| Phytochemical Name : Anonaine |
| PCNDIDA0148 |
| Pubchem CID : 160597 |
| Molecular formula: C17H15NO2 |
| Canonical SMILES : C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
Synonymes : Anonaine|1862-41-5|(-)-Anonaine|(-)-Annonaine|Anonain|CHEBI:76|(7ar)-6,7,7a,8-tetrahydro-5h-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline|CHEMBL401798|5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-, (R)-|5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline,6,7,7a,8-tetrahydro-, (7aR)-|(R)-6,7,7a,8-Tetrahydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]benzo[g]quinoline|D0HO7I|SCHEMBL15800856|DTXSID00171865|BDBM50202322|AKOS040760272|C09339|E88868|A904439|Q15410275|(R)-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4'',5'':4,5]benzo[1,2,3-de]quinoline|5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7,7a,8-tetrahydro-, (7aR)-|6,7,7a,8-Tetrahydro-5H-benzo[g][1,3]dioxolo[4'',5'':4,5]benzo[1,2,3-de]quinoline|(12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene|3,5-Dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.760 |
| Log Po/w (XLOGP3) : 2.830 |
| Log Po/w (WLOGP) : 2.120 |
| Log Po/w (MLOGP) : 2.830 |
| Log Po/w (SILICOS-IT) : 3.840 |
| Consensus Log Po/w : 2.880 |