NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundNoscapine
NPACT-IdNPACT00819
IUPAC(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
SynonymsTusscapine; Capval; NARCOTINE; Narcompren; Narcotussin; Coscopin; Longatin; Narcosine; Nipaxon; Noscopine; Opianin; Terbenol; Methoxyhydrastine; Noscapal; Noscapine; (S,R)-Noscapine; (-)-.alpha.-Narcotine
PubChem Id275196
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity Yes
TargetsBAX | BCL2 | birc5a | CASP3 | CASP9 | CYCS |   All | 
Properties Physical   Elemental  Topological
InChi KeyAKNNEGZIBPJZJG-MSOLQXFVSA-N
InChi1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
SMILESO1[C@H]([C@@H]2N(CCc3c2c(OC)c2OCOc2c3)C)c2c(C1=O)c(OC)c(OC)cc2
SMART[H]C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C2=C1[C@]([H])(OC2=O)[C@]1([H])[N@](C([H])([H])[H])C([H])([H])C([H])([H])C2=C([H])C3=C(OC([H])([H])O3)C(OC([H])([H])[H])=C12
CAS No.128-62-1
Structure
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Cross Refrence in other databases
Super Natural   000128621
CTD   D009665
HIT   -
NCI-60 GI50 data   128-62-1
Suppliers ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Aronis, ChemMol, Hangzhou APIChem Technology, Sigma-Aldrich, Vitas-M Laboratory, 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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