NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3'-formyl-2',4',6'-trihydroxy-5'-methyldihydrochalcone
NPACT-IdNPACT00129
IUPAC2,4,6-trihydroxy-3-methyl-5-(3-phenylpropanoyl)benzaldehyde
Synonyms-
PubChem Id11033908
ClassFlavonoid
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHKKGGXRAYMJKFW-UHFFFAOYSA-N
InChi1S/C17H16O5/c1-10-15(20)12(9-18)17(22)14(16(10)21)13(19)8-7-11-5-3-2-4-6-11/h2-6,9,20-22H,7-8H2,1H3
SMILESOc1c(C(=O)CCc2ccccc2)c(O)c(c(O)c1C)C=O
SMART[#6]C1=C(O)C(C=O)=C(O)C(C(=O)CCC2=CC=CC=C2)=C1O
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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