NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(3S)-3',7-dihydroxy-2',4',5',8-tetramethoxyisoflavan
NPACT-IdNPACT00018
IUPAC(3S)-3-(3-hydroxy-2,4,5-trimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
Synonyms-
PubChem Id471695
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWLBRDEZXTKMHFM-LLVKDONJSA-N
InChi1S/C19H22O7/c1-22-14-8-12(17(23-2)15(21)19(14)25-4)11-7-10-5-6-13(20)18(24-3)16(10)26-9-11/h5-6,8,11,20-21H,7,9H2,1-4H3/t11-/m1/s1
SMILESO1C[C@@H](Cc2c1c(OC)c(O)cc2)c1c(OC)c(O)c(OC)c(OC)c1
SMART[H]OC1=C(OC([H])([H])[H])C2=C(C([H])=C1[H])C([H])([H])[C@@]([H])(C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(O[H])=C1OC([H])([H])[H])C([H])([H])O2
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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