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CHEBI:175904 - Calebin A

ChEBI IDCHEBI:175904
ChEBI NameCalebin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O7
Net Charge0
Average Mass384.384
Monoisotopic Mass384.12090
SMILESCOc1cc(/C=C/C(=O)COC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+
InChIKeyUYEWRTKHKAVRDI-ASVGJQBISA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Calebin A (CHEBI:175904) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
[(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
553044ChemSpider
HMDB0040134HMDB
Registry NumbersSources
CAS:336784-82-8ChemIDplus