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CHEBI:134309 - 4'-O-methylxanthohumol(1−)

ChEBI IDCHEBI:134309
ChEBI Name4'-O-methylxanthohumol(1−)
Stars
ASCII Name4'-O-methylxanthohumol(1-)
DefinitionA phenolate anion that is the conjugate base of 4'-O-methylxanthohumol, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified12 April 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H23O5
Net Charge-1
Average Mass367.421
Monoisotopic Mass367.15510
SMILESCOc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c([O-])c1CC=C(C)C
InChIInChI=1S/C22H24O5/c1-14(2)5-11-17-19(26-3)13-20(27-4)21(22(17)25)18(24)12-8-15-6-9-16(23)10-7-15/h5-10,12-13,23,25H,11H2,1-4H3/p-1/b12-8+
InChIKeyUVBDKJHYMQEAQV-XYOKQWHBSA-M
ChEBI Ontology
Outgoing Relation(s)
4'-O-methylxanthohumol(1−) (CHEBI:134309) is a phenolate anion (CHEBI:50525)
4'-O-methylxanthohumol(1−) (CHEBI:134309) is conjugate base of 4'-O-methylxanthohumol (CHEBI:136828)
Incoming Relation(s)
4'-O-methylxanthohumol (CHEBI:136828) is conjugate acid of 4'-O-methylxanthohumol(1−) (CHEBI:134309)
IUPAC Name 
2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3,5-dimethoxy-6-(3-methylbut-2-en-1-yl)phenolate
Synonym  Source
4'-methylxanthohumol(1−)ChEBI
UniProt Name  Source
4'-O-methylxanthohumolUniProt
Citations