NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundDehydrocostuslactone
NPACT-IdNPACT00483
IUPAC(3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Synonymsdehydrocostuslactone
PubChem Id73174
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsJAK1 | JAK2 | STAT3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyNETSQGRTUNRXEO-XUXIUFHCSA-N
InChi1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1
SMILESO1[C@@H]2[C@@H]3[C@@H](CCC3=C)C(=C)CC[C@H]2C(=C)C1=O
SMART[H]C([H])=C1C(=O)O[C@@]2([H])[C@@]1([H])C([H])([H])C([H])([H])C(=C([H])[H])[C@]1([H])C([H])([H])C([H])([H])C(=C([H])[H])[C@]21[H]
CAS No.477-43-0
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C083030
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, ChemMol, FINETECH, IS Chemical Technology, Kingston Chemistry, ZINC, 
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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