NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound9-beta-hydroxy-1-beta,10-alpha-epoxyparthenolide
NPACT-IdNPACT00208
IUPAC-
Synonyms6-Hydroxy-6a,9a-dimethyl-4-methylenedecahydrodioxireno[2',3':5,6:2',3':9,10]cyclodeca[1,2-b]furan-3(1bH)-one
PubChem Id500219
ClassTerpenoids
In-vitro anticancer activity 17 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLWONQONPHFIJAL-UHFFFAOYSA-N
InChi1S/C15H20O5/c1-7-8-6-9(16)15(3)10(19-15)4-5-14(2)12(20-14)11(8)18-13(7)17/h8-12,16H,1,4-6H2,2-3H3
SMILESO1C2(C1C1OC(=O)C(=C)C1CC(O)C1(OC1CC2)C)C
SMART[H]O[C@@]1([H])C([H])([H])[C@@]2([H])C(=C([H])[H])C(=O)O[C@]2([H])[C@@]2([H])O[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2([H])O[C@]12C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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