NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundD-alpha-tocotrienol
NPACT-IdNPACT00479
IUPAC(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
Synonymszeta1-Tocopherol;D-alpha-Tocotrienol;(R)-alpha-Tocotrienol
PubChem Id5282347
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRZFHLOLGZPDCHJ-XZXLULOTSA-N
InChi1S/C29H44O2/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/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1
SMILESO1[C@@](CCc2c1c(c(c(O)c2C)C)C)(CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C
SMART[H]OC1=C(C([H])([H])[H])C2=C(O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])C(=C1C([H])([H])[H])C([H])([H])[H]
CAS No.1721-51-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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