NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundalpha-santonin
NPACT-IdNPACT01125
IUPAC-
SynonymsSantoninic anhydride;481-06-1;alpha.-Santonin;(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
PubChem Id221071
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXJHDMGJURBVLLE-BOCCBSBMSA-N
InChi1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
SMILESO1[C@H]2[C@@H](CC[C@@]3(C2=C(C(=O)C=C3)C)C)[C@@H](C1=O)C
SMART[H]C1=C([H])[C@]2(C(=C(C1=O)C([H])([H])[H])[C@@]1([H])OC(=O)[C@@]([H])(C([H])([H])[H])[C@]1([H])C([H])([H])C2([H])[H])C([H])([H])[H]
CAS No.481-06-1
Structure
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Cross Refrence in other databases
Super Natural   000481061
CTD   D012500
HIT   -
NCI-60 GI50 data   481-06-1
Suppliers ABI Chem, Amadis Chemical, Ambinter, ChemExper Chemical Directory, MolPort, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), 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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