NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundDuartin
NPACT-IdNPACT00517
IUPAC3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
Synonyms7,3'-Dihydroxy-8,2',4'-trimethoxyisoflavan;3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
PubChem Id3666064
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQVVPJFBYFYYVDM-UHFFFAOYSA-N
InChi1S/C18H20O6/c1-21-14-7-5-12(17(22-2)15(14)20)11-8-10-4-6-13(19)18(23-3)16(10)24-9-11/h4-7,11,19-20H,8-9H2,1-3H3
SMILESO1C[C@@H](Cc2c1c(OC)c(O)cc2)c1c(OC)c(O)c(OC)cc1
SMART[H]OC1=C(OC([H])([H])[H])C2=C(C([H])=C1[H])C([H])([H])[C@@]([H])(C1=C(OC([H])([H])[H])C(O[H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])O2
CAS No.101311-04-0
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C087989
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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