NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundpasakbumin B
NPACT-IdNPACT01289
IUPAC-
Synonyms-
PubChem Id13936699
ClassUnknown
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMOCOVNGOINOTNW-UHFFFAOYSA-N
InChi1S/C20H24O10/c1-7-3-9(21)11(22)16(2)8(7)4-10-17-5-29-19(26,14(16)17)15(25)18(6-28-18)20(17,27)12(23)13(24)30-10/h3,8,10-12,14-15,22-23,25-27H,4-6H2,1-2H3
SMILESO1C2(O)C3C4(C(O)(C5(OC5)C2O)C(O)C(=O)OC4CC2C3(C(O)C(=O)C=C2C)C)C1
SMART[H]O[C@]1([H])C(=O)O[C@]2([H])C([H])([H])[C@@]3([H])C(=C([H])C(=O)[C@]([H])(O[H])[C@@]3(C([H])([H])[H])[C@]3([H])[C@@]4(O[H])OC([H])([H])[C@@]23[C@@]1(O[H])[C@]1(OC1([H])[H])[C@]4([H])O[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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