NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTrolox
NPACT-IdNPACT01356
IUPAC-
Synonyms6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid;TROLOX C;2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-;3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid;6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid;(2S)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid;
PubChem Id40634
ClassUnknown
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGLEVLJDDWXEYCO-UHFFFAOYSA-N
InChi1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)
SMILESO1C(CCc2c1c(c(c(O)c2C)C)C)(C)C(=O)O
SMART[H]OC(=O)[C@@]1(OC2=C(C(=C(O[H])C(=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]
CAS No.53188-07-1
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C010643
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, Calbiochem, ChemExper Chemical Directory, ChemFrog, ChemMol, MP Biomedicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), TimTec, Tractus, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.