NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBenzoic acid beta-D-glucopyranoside
NPACT-IdNPACT00317
IUPAC-
Synonyms-
PubChem Id314421
ClassUnknown
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLVFCLUMIBMHAFL-UHFFFAOYSA-N
InChi1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2
SMILESO1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1OC(=O)c1ccccc1)CO
SMARTOC[C@@H]1O[C@H](OC(=O)C2=CC=CC=C2)[C@@H](O)[C@H](O)[C@H]1O
CAS No.21056-52-0
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers Abbott Labs, ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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