| Phytochemical Name : Mecambridine |
| PCNDIDM0033 |
| Pubchem CID : 161692 |
| Molecular formula: C22H25NO6 |
| Canonical SMILES : COC1=C(C(=C2CC3C4=C(C5=C(C=C4CCN3CC2=C1)OCO5)OC)CO)OC |
Synonymes : Mecambridine|31098-60-9|[(1S)-3,17,18-trimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaen-19-yl]methanol|6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine-12-methanol, 5,8,13,13a-tetrahydro-10,11,14-trimethoxy-, (13aS)-|Mecambrioline|Oreophilin|Oreophiline|(?)-Oreophiline|(-)-Mecambridine|6H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine-12-methanol, 5,8,13,13a-tetrahydro-10,11,14-trimethoxy-, (S)-|6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine-12-methanol, 5,8,13,13a-tetrahydro-10,11,14-trimethoxy-, (S)-|DTXSID50953198|AKOS040735098|(10,11,14-Trimethoxy-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-12-yl)methanol|(10,11,14-Trimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-12-yl)methanol # |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.700 |
| Log Po/w (XLOGP3) : 2.200 |
| Log Po/w (WLOGP) : 1.580 |
| Log Po/w (MLOGP) : 1.480 |
| Log Po/w (SILICOS-IT) : 3.470 |
| Consensus Log Po/w : 2.480 |