NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundArtoindonesianin B
NPACT-IdNPACT00281
IUPAC-
Synonyms-
PubChem Id10096171
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUYYZSBJGWJNBMX-SOFGYWHQSA-N
InChi1S/C26H28O8/c1-13(2)6-8-15-18(31-5)12-20-22(23(15)28)24(29)17-11-21(26(3,4)34-30)32-19-10-14(27)7-9-16(19)25(17)33-20/h6-10,12-13,21,27-28,30H,11H2,1-5H3/b8-6+
SMILESO1[C@H](C(OO)(C)C)Cc2c(oc3c(c2=O)c(O)c(c(OC)c3)/C=C/C(C)C)c2c1cc(O)cc2
SMART[H]OO[C@@](C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])OC2=C(C([H])=C([H])C(O[H])=C2[H])C2=C(C(=O)C3=C(O[H])C(C([H])=C(/[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[H])=C(OC([H])([H])[H])C([H])=C3O2)C1([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C119459
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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