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CHEBI:74085 - α-(4-methoxyphenyl)-6-methyl-2-pyridineacrylic acid

ChEBI IDCHEBI:74085
ChEBI Nameα-(4-methoxyphenyl)-6-methyl-2-pyridineacrylic acid
Stars
ASCII Namealpha-(4-methoxyphenyl)-6-methyl-2-pyridineacrylic acid
DefinitionA monocarboxylic acid that is acrylic acid with substituents 4-methoxyphenyl at position 2 and 6-methylpyridin-2-yl at position 3.
Last Modified19 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC16H15NO3
Net Charge0
Average Mass269.300
Monoisotopic Mass269.10519
SMILESCOc1ccc(/C(=C/c2cccc(C)n2)C(=O)O)cc1
InChIInChI=1S/C16H15NO3/c1-11-4-3-5-13(17-11)10-15(16(18)19)12-6-8-14(20-2)9-7-12/h3-10H,1-2H3,(H,18,19)/b15-10-
InChIKeyDXKRVBFWTXQSNQ-GDNBJRDFSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
α-(4-methoxyphenyl)-6-methyl-2-pyridineacrylic acid (CHEBI:74085) has functional parent acrylic acid (CHEBI:18308)
α-(4-methoxyphenyl)-6-methyl-2-pyridineacrylic acid (CHEBI:74085) has role metabolite (CHEBI:25212)
α-(4-methoxyphenyl)-6-methyl-2-pyridineacrylic acid (CHEBI:74085) is a monocarboxylic acid (CHEBI:25384)
α-(4-methoxyphenyl)-6-methyl-2-pyridineacrylic acid (CHEBI:74085) is a monomethoxybenzene (CHEBI:25235)
α-(4-methoxyphenyl)-6-methyl-2-pyridineacrylic acid (CHEBI:74085) is a pyridines (CHEBI:26421)
IUPAC Name 
(2Z)-2-(4-methoxyphenyl)-3-(6-methylpyridin-2-yl)prop-2-enoic acid
Synonym  Source
α-(p-methoxyphenyl)-6-methyl-2-pyridineacrylic acidChEBI
Manual XrefsDatabases
C15122KEGG COMPOUND
Registry NumbersSources
Reaxys:408405Reaxys