| Phytochemical Name : Schizandrer A |
| PCNDIDS0053 |
| Pubchem CID : 163338 |
| Molecular formula: C30H32O9 |
| Canonical SMILES : CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3 |
Synonymes : Schizandrer A|Benzoylgomisin P|82042-38-4|Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate, stereoisomer|Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-5,6-diol,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate, (5R,6R,7S)-|Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2,3,13-tetramethoxy-, 5-benzoate, stereoisomer|HY-N2988A|DTXSID901002412|LS-33968|CS-0140365|E88963|[(8R,9R,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate|6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydro-11H-benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl benzoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.210 |
| Log Po/w (XLOGP3) : 5.020 |
| Log Po/w (WLOGP) : 4.630 |
| Log Po/w (MLOGP) : 2.310 |
| Log Po/w (SILICOS-IT) : 5.070 |
| Consensus Log Po/w : 4.250 |