NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundliriodenine
NPACT-IdNPACT01251
IUPAC-
SynonymsOxoushinsunine;Micheline B;Oxoushinsunin;Spermatheridin;Spermatheridine;Ushinsunine, oxo-;Noraporphin-7-one, 4,5,6,6a-tetradehydro-1,2-(methylenedioxy)-;8h-1,3-benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one;
PubChem Id10144
ClassAlkaloids
In-vitro anticancer activity 8 cancer cell lines
In-Vivo anticancer activity No
TargetsCCNB1 | NOS2 | PARP1 | TP53 |   All | 
Properties Physical   Elemental  Topological
InChi KeyMUMCCPUVOAUBAN-UHFFFAOYSA-N
InChi1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2
SMILESO1c2c3c4c(cc2OC1)ccnc4C(=O)c1c3cccc1
SMART[H]C1=C([H])C2=C([H])C3=C(OC([H])([H])O3)C3=C2C(=N1)C(=O)C1=C([H])C([H])=C([H])C([H])=C31
CAS No.475-75-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C026980
HIT   -
NCI-60 GI50 data   475-75-2
Suppliers AAA Chemistry, ABI Chem, Ambinter, 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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