| Phytochemical Name : Schisantherin B |
| PCNDIDS0052 |
| Pubchem CID : 6438572 |
| Molecular formula: C28H34O9 |
| Canonical SMILES : CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3CC(C1(C)O)C)OCO4)OC)OC)OC)OC |
Synonymes : Schisantherin B|58546-55-7|Gomisin B|Wuweizi ester B|Schisandrer B|97ZTC185XV|UNII-97ZTC185XV|CHEBI:81352|2-BUTENOIC ACID, 2-METHYL-, (5S,6S,7S,13AS)-5,6,7,8-TETRAHYDRO-6-HYDROXY-1,2,3,13-TETRAMETHOXY-6,7-DIMETHYLBENZO[3,4]CYCLOOCTA[1,2-F][1,3]BENZODIOXOL-5-YL ESTER, (2Z)-|(5S,6S,7S)-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (Z)-2-methylbut-2-enoate|2-BUTENOIC ACID, 2-METHYL-, (5S,6S,7S,13AS)-5,6,7,8-TETRAHYDRO-6-HYDROXY-1,2,3,13-TETRAMETHOXY-6,7-DIMETHYLBENZO(3,4)CYCLOOCTA(1,2-F)(1,3)BENZODIOXOL-5-YL ESTER, (2Z)-|2-Butenoic acid, 2-methyl-, 5,6,7,8-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-yl ester, (5S-(5alpha(Z),6beta,7beta))-|Schizantherin-B|Wuweizi ester-B|Gomisin-B|(hydroxy-tetramethoxy-dimethyl-[?]yl) (Z)-2-methylbut-2-enoate|CHEMBL490308|AKOS015965248|CCG-269808|AC-20312|AC-34853|G0540|S9443|C17814|Q27155290|[(8S,9S,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] (Z)-2-methylbut-2-enoate|2-Butenoic acid, 2-methyl-, 5,6,7,8-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-yl ester, (5S-(5.alpha.(Z),6.beta.,7.beta.))-|2-BUTENOICACID,2-METHYL-,(5S,6S,7S,13AS)-5,6,7,13A-TETRAHYDRO-6-HYDROXY-1,2,3,13-TETRAMETHOXY-6,7-DIMETHYLBENZO[3,4]CYCLOOCTA[1,2-F][1,3]BENZODIOXOL-5-YLESTER,(2Z)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.880 |
| Log Po/w (XLOGP3) : 4.560 |
| Log Po/w (WLOGP) : 4.290 |
| Log Po/w (MLOGP) : 2.080 |
| Log Po/w (SILICOS-IT) : 4.910 |
| Consensus Log Po/w : 3.940 |

