| Phytochemical Name : Indolo(2',3':3,4)pyrido(1,2-b)(2,7)naphthyridinium, 5,7,8,13,13b,14-hexahydro-5,6-dimethyl-, (5S,6R,13bS)- |
| PCNDIDI0020 |
| Pubchem CID : 157739 |
| Molecular formula: C20H22N3+ |
| Canonical SMILES : CC1C2=C(CC3[N+]1(CCC4=C3NC5=CC=CC=C45)C)C=CN=C2 |
Synonymes : 81161-28-6|(1S,13R,14S)-13,14-Dimethyl-3,17-diaza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaene|Indolo(2',3':3,4)pyrido(1,2-b)(2,7)naphthyridinium, 5,7,8,13,13b,14-hexahydro-5,6-dimethyl-, (5S,6R,13bS)-|Malindine|SCHEMBL3132560|CHEBI:141921|DTXSID601001815|5,6-Dimethyl-5,7,8,13,13b,14-hexahydroindolo[2',3':3,4]pyrido[1,2-b][2,7]naphthyridin-6-ium |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -1.210 |
| Log Po/w (XLOGP3) : 2.860 |
| Log Po/w (WLOGP) : 2.890 |
| Log Po/w (MLOGP) : -0.990 |
| Log Po/w (SILICOS-IT) : 1.290 |
| Consensus Log Po/w : 0.970 |