NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBeta-lapachone
NPACT-IdNPACT00325
IUPAC-
Synonyms-
PubChem Id3885
ClassPolycyclic aromatic natural products
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity Yes
TargetsBCL2 | CCNB1 | CCND1 | CDK1 | CycA | JUN | MAPK8 | NFKB1 | NFKBIA | PSMD9 | TP53 |   All | 
Properties Physical   Elemental  Topological
InChi KeyQZPQTZZNNJUOLS-UHFFFAOYSA-N
InChi1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
SMILESO1C(CCC2=C1c1c(C(=O)C2=O)cccc1)(C)C
SMART[H]C1=C([H])C([H])=C2C3=C(C(=O)C(=O)C2=C1[H])C([H])([H])C([H])([H])[C@@](O3)(C([H])([H])[H])C([H])([H])[H]
CAS No.4707-32-8
Structure
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Cross Refrence in other databases
Super Natural   004707328
CTD   C014638
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Ambinter, ChemFrog, ChemMol, MP Biomedicals, Sigma-Aldrich, 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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