NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundDielsiquinone
NPACT-IdNPACT00502
IUPAC3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione
SynonymsDielsiquinone
PubChem Id10445779
ClassPolycyclic aromatic natural products
In-vitro anticancer activtiy 5 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAZTABGJRYQJTCL-UHFFFAOYSA-N
InChi1S/C15H11NO4/c1-7-10-11(16-15(19)14(7)20-2)13(18)9-6-4-3-5-8(9)12(10)17/h3-6H,1-2H3,(H,16,19)
SMILESO(c1c(c2c([nH]c1=O)C(=O)c1c(C2=O)cccc1)C)C
SMART[H]N1C(=O)C(OC([H])([H])[H])=C(C2=C1C(=O)C1=C([H])C([H])=C([H])C([H])=C1C2=O)C([H])([H])[H]
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C504381
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.