NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundXerophilusin A
NPACT-IdNPACT01025
IUPAC-
Synonyms-
PubChem Id44445773
ClassTerpenoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsIKBKE | NFKB1 | NOS2 | RELA |   All | 
Properties Physical   Elemental  Topological
InChi KeyAFBNZCDGSSSCST-LKXIHEMSSA-N
InChi1S/C22H28O7/c1-9-11-8-12(27-10(2)23)13-20-7-5-6-19(3,4)14(20)16(25)22(26)21(13,15(9)24)17(11)28-18(20)29-22/h11-14,16-18,25-26H,1,5-8H2,2-4H3/t11-,12-,13-,14+,16-,17+,18-,20+,21-,22-/m0/s1
SMILESO1[C@]2(O)[C@]34[C@H]5[C@]6([C@H]([C@@H]2O)C(CCC6)(C)C)[C@H]1O[C@@H]3[C@@H](C[C@@H]5OC(=O)C)C(=C)C4=O
SMART[H]O[C@@]1([H])[C@]2([H])[C@@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]22[C@@]3([H])O[C@]4([H])[C@]5([H])C(=C(/[H])[H])C(=O)[C@]4([C@]2([H])[C@@]([H])(OC(=O)C([H])([H])[H])C5([H])[H])[C@@]1(O[H])O3
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C410910
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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