NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone
NPACT-IdNPACT00064
IUPAC(E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one
SynonymsAurentiacin-A; 2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone
PubChem Id10424762
ClassFlavonoid
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsAKT1 | BCL2 | BCL2L11 | ERBB2 | KDR | MAPK1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyTZEQDSMFACWASC-MDZDMXLPSA-N
InChi1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
SMILESO(c1c(c(O)c(c(O)c1C(=O)/C=C/c1ccccc1)C)C)C
SMART[H]OC1=C(C(=O)C([H])=C(/[H])C2=C([H])C([H])=C([H])C([H])=C2[H])C(OC([H])([H])[H])=C(C(O[H])=C1C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C501649
HIT   -
NCI-60 GI50 data   -
Suppliers Ambinter, 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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