NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundEncecalin
NPACT-IdNPACT00526
IUPAC1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone
SynonymsEncecalin (methyleupatoriochromene); 1-(7-methoxy-2,2-dimethyl-2h-chromen-6-yl)ethanone
PubChem Id114703
ClassBenzopyranoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWXVLCNREBFDEKS-UHFFFAOYSA-N
InChi1S/C14H16O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-8H,1-4H3
SMILESO1C(C=Cc2c1cc(OC)c(c2)C(=O)C)(C)C
SMART[H]C1=C([H])[C@@](OC2=C([H])C(OC([H])([H])[H])=C(C([H])=C12)C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
CAS No.20628-09-5
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, Kingston Chemistry, 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

 






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