NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound5,7,4'-trihydroxyhomoisoflavanone
NPACT-IdNPACT01392
IUPAC(3R)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
Synonyms5,7-dihydroxy-3-(4-hydroxybenzyl)-2,3-dihydro-4H-chromen-4-one;(3R)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one;4H-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-
PubChem Id638291
ClassFlavonoid
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFIASLUPJXGTCKM-SNVBAGLBSA-N
InChi1S/C16H14O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10,17-19H,5,8H2/t10-/m1/s1
SMILESO1C[C@@H](Cc2ccc(O)cc2)C(=O)c2c1cc(O)cc2O
SMARTOC1=CC=C(C[C@@H]2COC3=CC(O)=CC(O)=C3C2=O)C=C1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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