| Phytochemical Name : Isotetrandrine |
| PCNDIDI0130 |
| Pubchem CID : 457825 |
| Molecular formula: C38H42N2O6 |
| Canonical SMILES : CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
Synonymes : Isotetrandrine|477-57-6|(R,S)-Tetrandrine|(+)-Isotetrandrine|Isosinomenine A|Isosinomenin A|O-Methylberbamine|O,O'-Dimethylobamegine|1-ISOTETRANDRINE|O,O'-Dimethylstepholine|6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman|84T861CP2N|Pheanthine (R,R)|Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-|CCRIS 6540|C38H42N2O6|(+/-)-Isotetrandrine|(11S,31R)-16,36,37,54-tetramethoxy-12,32-dimethyl-11,12,13,14,31,32,33,34-octahydro-2,6-dioxa-1(7,1),3(8,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphane|23495-90-1|tetramethoxy(dimethyl)[?]|Isotetrandrine, (+/-)-|1-Isotetrandrine, (+/-)-|Isotetrandine|C7WJK43784|Berbamine methyl ether|Isotetrandrine (R,S)|NCIMech_000062|NCIStruc1_000265|NCIStruc2_000039|Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl- (9CI)|Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-, (+/-)-|MLS002472978|SCHEMBL718928|UNII-84T861CP2N|UNII-C7WJK43784|ISOTETRANDRINE, (+)-|CHEMBL449690|ISOTETRANDRINE [WHO-DD]|BDBM85444|DTXSID501316772|HMS2226F20|HY-N6045|NCI77037|TNP00326|CCG-36288|NCGC00013832|AKOS030497625|NCGC00013832-02|NCGC00013832-03|NCGC00017376-01|NCGC00096942-01|CAS-518-34-3|MS-30800|SMR001397085|CS-0032236|SW219720-1|(1S,14R)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene|16H-1,24:6,9-DIETHENO-11,15-METHENO-2H-PYRIDO(2',3':17,18)(1,11)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINE, 3,4,4A,5,16A,17,18,19-OCTAHYDRO-12,21,22,26-TETRAMETHOXY-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)ISOQUINOLINE, 3,4,4A,5,16A,17,18,19-OCTAHYDRO-12,21,22,26-TETRAMETHOXY-4,17-DIMETHYL-, (4AS-(4AR*,16AS*))-|5956-77-4 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 4.870 |
| 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 : 5.410 |

