NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCostunolide
NPACT-IdNPACT00441
IUPAC2-methylphenol; 3-methylphenol; 4-methylphenol
SynonymsCostus lactone
PubChem Id5281437
ClassTerpenoids
In-vitro anticancer activtiy 5 cancer cell lines
In-Vivo anticancer activtiy No
TargetsCASP3 | CASP8 | CCNB1 | CDK1 | CDKN1A | Fas | PARP1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyHRYLQFBHBWLLLL-AHNJNIBGSA-N
InChi1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1
SMILESO1[C@H]2[C@@H](CCC(=CCCC(=C2)C)C)C(=C)C1=O
SMART[H]C([H])=C1/C(=O)O[C@]2([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]12[H]
CAS No.553-21-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C002602
HIT   C0359
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemMol, IS Chemical Technology, MolPort, 
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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