NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundEllagic acid
NPACT-IdNPACT00521
IUPAC-
SynonymsBenzoaric acid;Lagistase;Eleagic acid;Elagostasine;Llagic acid;Ellagic acid dihydrate
PubChem Id5281855
ClassBenzopyranoids
In-vitro anticancer activtiy 10 cancer cell lines
In-Vivo anticancer activtiy No
TargetsCASP3 | CDK2 | CDKN1A | TP53 |   All | 
Properties Physical   Elemental  Topological
InChi KeyAFSDNFLWKVMVRB-UHFFFAOYSA-N
InChi1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
SMILESo1c2c3c4c(cc(O)c(O)c4oc(=O)c3cc(O)c2O)c1=O
SMART[H]OC1=C(O[H])C2=C3C(=C1[H])C(=O)OC1=C3C(=C([H])C(O[H])=C1O[H])C(=O)O2
CAS No.476-66-4
Structure
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Cross Refrence in other databases
Super Natural   000476664
CTD   D004610
HIT   C0368
NCI-60 GI50 data   476-66-4
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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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