| Compound | dl-a-Tocopherol |
| NPACT-Id | NPACT00514 |
| IUPAC | 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol |
| Synonyms | VITAMIN E ;dl-|A-tocopherol;DL-ALPHA-TOCOPHEROL;.alpha.-Tocopherol;d-.alpha.-Tocopherol;(+/-)-alpha-Tocopherol;DL-all-rac-alpha-Tocopherol;Phytogermine;Waynecomycin |
| PubChem Id | 2116 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | GVJHHUAWPYXKBD-UHFFFAOYSA-N |
| InChi | 1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3 |
| SMILES | O1[C@](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)(CCc2c1c(c(c(O)c2C)C)C)C |
|
SMART | [H]OC1=C(C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | C0500 |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, Ambinter, Calbiochem, ChemFrog, ChemMol, Hangzhou APIChem Technology, MolPort, MP
Biomedicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), |
| 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 |