NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundQuinic acid
NPACT-IdNPACT00894
IUPAC(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
SynonymsKinic acid;
PubChem Id6508
ClassOrganic chemical
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAAWZDTNXLSGCEK-LNVDRNJUSA-N
InChi1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1
SMILESO[C@]1(C[C@@H](O)[C@H](O)[C@H](O)C1)C(=O)O
SMART[H]OC(=O)[C@]1(O[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C1([H])[H]
CAS No.77-95-2
Structure
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Cross Refrence in other databases
Super Natural   000077952
CTD   D011801
HIT   -
NCI-60 GI50 data   -
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Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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