NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(3S)-7-hydroxy-2',3',4',5',8-pentamethoxyisoflavan
NPACT-IdNPACT00019
IUPAC(3S)-8-methoxy-3-(2,3,4,5-tetramethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Synonyms-
PubChem Id471694
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHXMFOQRLTFPKOD-GFCCVEGCSA-N
InChi1S/C20H24O7/c1-22-15-9-13(17(23-2)20(26-5)19(15)25-4)12-8-11-6-7-14(21)18(24-3)16(11)27-10-12/h6-7,9,12,21H,8,10H2,1-5H3/t12-/m1/s1
SMILESO1C[C@@H](Cc2c1c(OC)c(O)cc2)c1c(OC)c(OC)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(OC([H])([H])[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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