NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMatrine
NPACT-IdNPACT00760
IUPAC-
Synonyms(7aS,13aR,13bR,13cS)-Dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one
PubChem Id91466
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity Yes
TargetsBAX | BCL2 | CASP3 | CASP8 | CASP9 | Fas | PCNA |   All | 
Properties Physical   Elemental  Topological
InChi KeyZSBXGIUJOOQZMP-JLNYLFASSA-N
InChi1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1
SMILESO=C1N2[C@@H]([C@@H]3[C@H]4N(CCC3)CCC[C@H]4C2)CCC1
SMART[H]C1([H])[N@]2C([H])([H])C([H])([H])C([H])([H])[C@]3([H])[C@]4([H])N(C(=O)C([H])([H])C([H])([H])C4([H])[H])C([H])([H])[C@]([H])(C([H])([H])C1([H])[H])[C@]23[H]
CAS No.519-02-8
Structure
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Cross Refrence in other databases
Super Natural   000519028
CTD   C034244
HIT   C0333
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, ChemMol, Selleck Chemicals, TCI (Tokyo Chemical Industry), 
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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