NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundPraecansone B
NPACT-IdNPACT01298
IUPAC-
Synonyms-
PubChem Id10090306
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNQO1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyTUJSKSRZFNAELN-VBKFSLOCSA-N
InChi1S/C22H22O5/c1-22(2)11-10-15-18(27-22)13-19(25-3)20(21(15)26-4)17(24)12-16(23)14-8-6-5-7-9-14/h5-13,23H,1-4H3/b16-12-
SMILESO1C(C=Cc2c1cc(OC)c(c2OC)C(=O)/C=C(O)/c1ccccc1)(C)C
SMART[H]OC(=C([H])C(=O)C1=C(OC([H])([H])[H])C([H])=C2O[C@](C([H])=C([H])C2=C1OC([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C541866
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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