NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound5,6-dehydrokawain
NPACT-IdNPACT00166
IUPAC4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one
Synonyms5,6-Dehydrokawain
PubChem Id5273621
ClassOxygen heterocycles
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsTNF |   All | 
Properties Physical   Elemental  Topological
InChi KeyDKKJNZYHGRUXBS-BQYQJAHWSA-N
InChi1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
SMILESo1c(/C=C/c2ccccc2)cc(OC)cc1=O
SMART[#6]OC1=CC(=O)OC(C=CC2=CC=CC=C2)=C1
CAS No.15345-89-8; 26531-51-1; 1952-41-6
Structure
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Cross Refrence in other databases
Super Natural   001952416
CTD   C052297
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Amadis Chemical, Ambinter, IS Chemical Technology, 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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