| Phytochemical Name : Cycleanine |
| PCNDIDC0301 |
| Pubchem CID : 121313 |
| Molecular formula: C38H42N2O6 |
| Canonical SMILES : CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC |
Synonymes : Cycleanine|518-94-5|(-)-Cycleanine|O-Methylnorcycleanine|Dimethylisochondodendrine|O,O-Dimethylisochondodendrin|O,O-Dimethylisochondrodendrine|BN8R5T4KQ9|CHEBI:81051|(11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene|8,11:20,23-Dietheno-1H,12H-(1,10)dioxacyclooctadecino(2,3,4-ij:11,12,13-i'j')diisoquinoline, 2,3,12a,13,14,15,24,24a-octahydro-1,13-dimethyl-5,6,17,18-tetramethoxy-, (12aR-(12aR*,24aR*))-|Isocycleanine|Cycleanin|Cycleanine (R,R)|UNII-BN8R5T4KQ9|CYCLEANINE [WHO-DD]|Cycleanine + other alkaloids|SCHEMBL21974|Cycleanine (6CI,7CI,8CI)|CHEMBL443389|BDBM85446|DTXSID40199740|HY-N2005|MFCD00238567|AKOS037514606|LS-61806|MS-30801|CS-0018325|C17387|Q-100582|Q15410908|(12AR,24AR)-2,3,12A,13,14,15,24,24A-OCTAHYDRO-5,6,17,18-TETRAMETHOXY-1,13-DIMETHYL-8,11:20,23-DIETHENO-1H,12H-(1,10)DIOXACYCLOOCTADECINO(2,3,4-IJ:11,12,13-I'J')DIISOQUINOLINE|8,11:20,23-DIETHENO-1H,12H-(1,10)DIOXACYCLOOCTADECINO(2,3,4-IJ:11,12,13-I'J')DIISOQUINOLINE, 2,3,12A,13,14,15,24,24A-OCTAHYDRO-5,6,17,18-TETRAMETHOXY-1,13-DIMETHYL-, (12AR,24AR)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 5.170 |
| Log Po/w (XLOGP3) : 6.660 |
| Log Po/w (WLOGP) : 5.750 |
| Log Po/w (MLOGP) : 3.730 |
| Log Po/w (SILICOS-IT) : 6.060 |
| Consensus Log Po/w : 5.470 |