NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound2',4'-dihydroxychalcone
NPACT-IdNPACT01071
IUPAC-
SynonymsChalcone,4'-dihydroxy-;1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one;2-Propen-1-one,4-dihydroxyphenyl)-3-phenyl-;(E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one;2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-, (E)-
PubChem Id5376979
ClassFlavonoid
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
Targetsbirc5a | CASP3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyJUMSUVHHUVPSOY-RMKNXTFCSA-N
InChi1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
SMILESOc1c(C(=O)/C=C/c2ccccc2)ccc(O)c1
SMART[H]OC1=C([H])C(O[H])=C(C([H])=C1[H])C(=O)C([H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
CAS No.25515-43-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C059354
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, 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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