| Phytochemical Name : Berbamine |
| PCNDIDB0045 |
| Pubchem CID : 275182 |
| Molecular formula: C37H40N2O6 |
| Canonical SMILES : CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
Synonymes : BERBAMINE|(+)-Berbamine|d-Berbamine|478-61-5|Berbenine|UNII-V5KM4XJ0WM|V5KM4XJ0WM|CHEBI:3063|CHEMBL504323|NSC-121842|2-27-00-00891 (Beilstein Handbook Reference)|berbamine hydrochloride|CCRIS 6538|EINECS 207-523-5|Berbaman-12-ol, 6,6',7-trimethoxy-2,2'-dimethyl-|NSC 121842|BRN 0078902|NSC-369310|BERBAMINE [MI]|6078-17-7|BERBAMINE [WHO-DD]|BERBAMINE, (+)-|SCHEMBL19039|DTXSID40963943|HY-N0714|TNP00325|BDBM50241654|s9141|AKOS015896768|CCG-270219|NCGC00017375-01|NCGC00017375-02|NCGC00017375-03|NCGC00142548-01|16h-1,24:6,9-dietheno-11,15-metheno-2H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolin-12-ol, 3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, (4aS,16aR)-|16h-1,24:6,9-dietheno-11,15-metheno-2H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolin-12-ol, 3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, (4aS-(4aR*,16aS*))-|MS-30684|NCI60_003398|CS-0009732|C09357|TERT-BUTYL1,3-BENZODIOXOL-4-YLCARBAMATE|Berbaman-12-ol,6',7-trimethoxy-2,2'-dimethyl-|SR-05000002322|Q4891024|SR-05000002322-2|WLN: T-T66 CNT&J C1 HO1 IO- JT66 CNT&J C1 HO1 IO1 B1R DQ COR D1- B-18-J |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.920 |
| Log Po/w (XLOGP3) : 6.340 |
| Log Po/w (WLOGP) : 5.450 |
| Log Po/w (MLOGP) : 3.550 |
| Log Po/w (SILICOS-IT) : 5.500 |
| Consensus Log Po/w : 5.150 |