NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(-)-anonaine
NPACT-IdNPACT01035
IUPAC5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline
Synonyms(7ar)-6,7,7a,8-tetrahydro-5h-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline;5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-, (R)-
PubChem Id160597
ClassAlkaloids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsBAX | BCL2 | CASP3 | CASP7 | CASP8 | CASP9 | TP53 |   All | 
Properties Physical   Elemental  Topological
InChi KeyVZTUKBKUWSHDFM-CYBMUJFWSA-N
InChi1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2/t13-/m1/s1
SMILESO1c2c3c4[C@H](NCCc4cc2OC1)Cc1c3cccc1
SMART[H]N1C([H])([H])C([H])([H])C2=C([H])C3=C(OC([H])([H])O3)C3=C2[C@@]1([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C31
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C098138
HIT   C0551
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Amadis Chemical, Kingston Chemistry, Therapeutic Targets Database, 
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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