NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundPhiladelphicalactone A
NPACT-IdNPACT00859
IUPAC-
Synonyms-
PubChem Id11038269
ClassSteroids
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNQO1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyODFGLJQOCBLUPX-HRWIZJFJSA-N
InChi1S/C28H40O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,14-18,20-22,30,32-33H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21?,22+,24-,25-,26-,27+,28+/m0/s1
SMILESO1[C@@]23[C@]([C@@H]4[C@H]([C@H]5[C@@]([C@](O)(CC5)[C@@](O)([C@H]5OC(=O)[C@@H]([C@H](C5)C)C)C)(CC4)C)C[C@@H]12)(C)C(=O)C=C[C@@H]3O
SMART[H]O[C@@]1([H])C([H])=C([H])C(=O)[C@]2(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]4(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@]4(O[H])[C@](O[H])(C([H])([H])[H])[C@@]4([H])OC(=O)[C@]([H])(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C4([H])[H])[C@]3([H])C([H])([H])[C@@]3([H])O[C@@]123
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   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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