NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundEuparin
NPACT-IdNPACT00570
IUPAC1-(6-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone
Synonyms5-acetyl-6-hydroxy-2-isopropenylbenzofuran; Euparin; 1-(6-Hydroxy-2-(1-methylethenyl)-5-benzofuranyl)ethanone; 1-[6-hydroxy-2-(prop-1-en-2-yl)-1-benzofuran-5-yl]ethanone
PubChem Id119039
ClassBenzofuranoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyOPUFDNZTKHPZHM-UHFFFAOYSA-N
InChi1S/C13H12O3/c1-7(2)12-5-9-4-10(8(3)14)11(15)6-13(9)16-12/h4-6,15H,1H2,2-3H3
SMILESo1c2c(cc1C(=C)C)cc(c(O)c2)C(=O)C
SMART[H]OC1=C(C([H])=C2C([H])=C(OC2=C1[H])C(=C([H])[H])C([H])([H])[H])C(=O)C([H])([H])[H]
CAS No.532-48-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C524284
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, ChemFrog, 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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