| Phytochemical Name : alpha-Viniferin |
| PCNDIDA0111 |
| Pubchem CID : 196402 |
| Molecular formula: C42H30O9 |
| Canonical SMILES : C1=CC(=CC=C1C2C3C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O |
Synonymes : alpha-Viniferin|62218-13-7|(+)-Alpha-Viniferin|(+)-.alpha.-Viniferin|53XER6FHLX|CHEMBL443463|CHEBI:66359|(2R,3R,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol|(+)--Viniferin|Viniferin-alpha|UNII-53XER6FHLX|.ALPHA.-VINIFERIN|VINIFERIN, ALPHA-|SCHEMBL2721238|DTXSID40211274|HY-N2854|BDBM50362650|Cyclonona(1,2,3-cd:4,5,6-c'd':7,8,9-c''d'')trisbenzofuran-4,9,14-triol, 2,2a,7,7a,12,12a-hexahydro-2,7,12-tris(4-hydroxyphenyl)-, (2R*,2aR*,7R*,7aR*,12S*,12aS*)-|CS-0023432|3'',4'':7,8,9]cyclonona[1,2,3-cd][1]benzofuran-4,9,14-triol|(2R,2aR,7R,7aR,12S,12aS)-2,7,12-tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis[1]benzofuro[3',4':4,5,6|(2R,2aR,7R,7aR,12S,12aS)-2,7,12-tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis[1]benzofuro[3',4':4,5,6;3'',4'':7,8,9]cyclonona[1,2,3-cd][1]benzofuran-4,9,14-triol|CYCLONONA(1,2,3-CD:4,5,6-C'D':7,8,9-C''D'')TRISBENZOFURAN-4,9,14-TRIOL, 2,2A,7,7A,12,12A-HEXAHYDRO-2,7,12-TRIS(4-HYDROXYPHENYL)-, (2R*,2AR*,7R*,7AR*,12S*,12AS*)-(+)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.780 |
| Log Po/w (XLOGP3) : 6.830 |
| Log Po/w (WLOGP) : 7.060 |
| Log Po/w (MLOGP) : 3.490 |
| Log Po/w (SILICOS-IT) : 5.630 |
| Consensus Log Po/w : 5.160 |