NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundSaikosaponin b2
NPACT-IdNPACT01308
IUPAC-
Synonyms-
PubChem Id45358150
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWRYJYFCCMSVEPQ-DPSCCEPBSA-N
InChi1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25?,26-,27-,28+,29+,
SMILESO([C@@H]1[C@](C2[C@@]([C@@H]3[C@]([C@@]4(C(=C5[C@@]([C@H](O)C4)(CCC(C5)(C)C)CO)C=C3)C)(CC2)C)(CC1)C)(CO)C)[C@@H]1O[C@@H]([C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO)[C@H]1O)C
SMART[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]5([H])C([H])=C([H])C6=C7C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]7(C([H])([H])O[H])[C@]([H])(O[H])C([H])([H])[C@]6(C([H])([H])[H])[C@]5(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]4([H])[C@]3(C([H])([H])[H])C([H])([H])O[H])O[C@]([H])(C([H])([H])[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.58316-41-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C025759
HIT   -
NCI-60 GI50 data   -
Suppliers ChemMol, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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