NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundParthenolid-9-one
NPACT-IdNPACT00843
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 19 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZUVUFMKEYMFMJG-IRVYAZICSA-N
InChi1S/C14H18O4/c1-8-4-3-5-14(2)13(18-14)12-9(6-10(8)15)7-11(16)17-12/h4,9,12-13H,3,5-7H2,1-2H3/b8-4+/t9-,12-,13-,14+/m0/s1
SMILESC1=C(C(=O)C[C@@H]2[C@@H]([C@H]3[C@@](CC1)(O3)C)OC(=O)C2)C
SMART[#6]C1=C/CC[C@@]2([#6])O[C@H]2[C@H]2OC(=O)C[C@@H]2CC1=O
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C420911
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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