NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundLiquiritigenin
NPACT-IdNPACT00716
IUPAC(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SynonymsLIQUIRTIGENIN;4',7-Dihydroxyflavanone;(2s)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4h-chromen-4-on
PubChem Id114829
ClassFlavonoid
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity Yes
TargetsBCL2 | CASP3 | GPX1 | SOD1 | TP53 | VEGFA |   All | 
Properties Physical   Elemental  Topological
InChi KeyFURUXTVZLHCCNA-AWEZNQCLSA-N
InChi1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
SMILESO1[C@@H](CC(=O)c2c1cc(O)cc2)c1ccc(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])OC2=C(C([H])=C([H])C(O[H])=C2[H])C(=O)C1([H])[H]
CAS No.578-86-9
Structure
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Cross Refrence in other databases
Super Natural   000554358
CTD   C083152
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Amadis Chemical, Ambinter, IS Chemical Technology, Kingston Chemistry, MolPort, Therapeutic Targets Database, 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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