CHEBI:77131 - sinapic acid

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ChEBI Name sinapic acid ChEBI ID CHEBI:77131 Definition A monohydroxycinnamic acid that is cinnamic acid in which the phenyl hydrogens at positions 3, 4, and 5 are replaced by methoxy, hydroxy, and methoxy groups, respectively. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C11H12O5 Net Charge 0 Average Mass 224.21000 Monoisotopic Mass 224.06847 InChI InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13) InChIKey PCMORTLOPMLEFB-UHFFFAOYSA-N SMILES COc1cc(C=CC(O)=O)cc(OC)c1O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing sinapic acid (CHEBI:77131) is a dimethoxybenzene (CHEBI:51681) sinapic acid (CHEBI:77131) is a methoxycinnamic acid (CHEBI:61407) sinapic acid (CHEBI:77131) is a monohydroxycinnamic acid (CHEBI:24688) sinapic acid (CHEBI:77131) is a phenols (CHEBI:33853) sinapic acid (CHEBI:77131) is a phenylpropanoid (CHEBI:26004) Incoming cis-sinapic acid (CHEBI:76350) is a sinapic acid (CHEBI:77131) trans-sinapic acid (CHEBI:15714) is a sinapic acid (CHEBI:77131) IUPAC Name 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid Synonym Source 3,5-dimethoxy-4-hydroxycinnamic acid ChEBI Manual Xrefs Databases C00482 KEGG COMPOUND DB08587 DrugBank Sinapinic_acid Wikipedia View more database links Registry Numbers Types Sources 530-59-6 CAS Registry Number KEGG COMPOUND 530-59-6 CAS Registry Number NIST Chemistry WebBook 530-59-6 CAS Registry Number ChemIDplus Last Modified 11 November 2019