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Substrate Report for: Ethyl-coumarin-3-carboxylate

General
Type Coumarin
Chemical_Nomenclature ethyl 2-oxochromene-3-carboxylate
Canonical SMILES CCOC(=O)C1=CC2=CC=CC=C2OC1=O
InChI InChI=1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3
InChIKey XKHPEMKBJGUYCM-UHFFFAOYSA-N
Other name(s) Ethyl coumarin-3-carboxylate ; Ethyl 2-oxo-2H-chromene-3-carboxylate ; ethyl 3-coumarin carboxylate ; 3-Ethoxycarbonylcoumarin ; Ethyl 3-coumarincarboxylate
________________________________________________________________________________________________
MW|218.20
Formula|C12H10O4
CAS_number|1846-76-0
PubChem|15800
UniChem|XKHPEMKBJGUYCM-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Ethyl-coumarin-3-carboxylate ligand of proteins in family: AlphaBeta_hydrolase
Protein | 9firm-Est1E

References:
Search PubMed for references concerning: Ethyl-coumarin-3-carboxylate
    Title: Structural and functional characterization of a promiscuous feruloyl esterase (Est1E) from the rumen bacterium Butyrivibrio proteoclasticus
    Goldstone DC, Villas-Boas SG, Till M, Kelly WJ, Attwood GT, Arcus VL
    Ref: Proteins, 78:1457, 2010 : PubMed