NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundKawain
NPACT-IdNPACT00703
IUPAC4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SynonymsGonosan; Neuronica; Cavain
PubChem Id5369129
ClassOxygen heterocycles
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsTNF |   All | 
Properties Physical   Elemental  Topological
InChi KeyXEAQIWGXBXCYFX-BQYQJAHWSA-N
InChi1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+
SMILESO1[C@@H](CC(=CC1=O)OC)/C=C/c1ccccc1
SMART[H]C(=C([H])[C@@]1([H])OC(=O)C([H])=C(OC([H])([H])[H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
CAS No.1635-33-2
Structure
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Cross Refrence in other databases
Super Natural   000500641
CTD   C011889
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, Chemical Synthesis Database, IS Chemical Technology, R&D Chemicals, Sigma-Aldrich, TimTec, 
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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