NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CompoundIsoliquiritigenin
NPACT-IdNPACT00676
IUPAC(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Synonyms2',4,4'-Trihydroxychalcone; 6'-deoxychalcone
PubChem Id638278
ClassFlavonoid
In-vitro anticancer activity 10 cancer cell lines
In-Vivo anticancer activity No
TargetsAKT1 | DDIT3 | ICAM1 | ITGA2 | JUN | MAPK8 | MMP9 | PLAU | TIMP1 | TIMP2 | VCAM1 | VEGFA |   All | 
Properties Physical   Elemental  Topological
InChi KeyDXDRHHKMWQZJHT-FPYGCLRLSA-N
InChi1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
SMILESOc1c(C(=O)/C=C/c2ccc(O)cc2)ccc(O)c1
SMART[H]OC1=C([H])C([H])=C(C([H])=C(/[H])C(=O)C2=C(O[H])C([H])=C(O[H])C([H])=C2[H])C([H])=C1[H]
CAS No.961-29-5
Structure
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Cross Refrence in other databases
Super Natural   000961295
CTD   C040920
HIT   C0298
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, ChemMol, IS Chemical Technology, MolPort, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TimTec, ZINC, 
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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