NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compounddl-a-Tocopherol
NPACT-IdNPACT00514
IUPAC2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
SynonymsVITAMIN E ;dl-|A-tocopherol;DL-ALPHA-TOCOPHEROL;.alpha.-Tocopherol;d-.alpha.-Tocopherol;(+/-)-alpha-Tocopherol;DL-all-rac-alpha-Tocopherol;Phytogermine;Waynecomycin
PubChem Id2116
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGVJHHUAWPYXKBD-UHFFFAOYSA-N
InChi1S/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
SMILESO1[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
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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 SearchHuman metabolite databaseFDA approved drugs

 






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