| Compound | (+)-alpha-viniferin |
| NPACT-Id | NPACT01042 |
| IUPAC | - |
| Synonyms | 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*)- |
| PubChem Id | 196402 |
| Class | Simple aromatic natural products |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | KUTVNHOAKHJJFL-ZSIJVUTGSA-N |
| InChi | 1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39+,40+,41+,42-/m1/s1 |
| SMILES | O1[C@H]([C@H]2c3c([C@@H]4c5c([C@H]6c7c2cc(O)cc7O[C@@H]6c2ccc(O)cc2)cc(O)cc5O[C@H]4c2ccc(O)cc2)cc(O)cc13)c1ccc(O)cc1 |
|
SMART | [H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@]1([H])OC2=C3C(=C([H])C(O[H])=C2[H])[C@]2([H])C4=C(O[C@@]2([H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])=C(O[H])C([H])=C4[C@@]2([H])C4=C(O[C@]2([H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])=C(O[H])C([H])=C4[C@@]13[H] |
| CAS No. | 62218-13-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C064176 |
| HIT | C0559 |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |