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CHEBI:134289 - xanthohumol(1−)

Default Structure
ChEBI IDCHEBI:134289
ChEBI Namexanthohumol(1−)
Stars
ASCII Namexanthohumol(1-)
DefinitionA phenolate anion that is the conjugate base of xanthohumol, 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 Modified16 May 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H21O5
Net Charge-1
Average Mass353.394
Monoisotopic Mass353.13945
SMILESCOc1cc(O)c(CC=C(C)C)c([O-])c1C(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/p-1/b11-7+
InChIKeyORXQGKIUCDPEAJ-YRNVUSSQSA-M
ChEBI Ontology
Outgoing Relation(s)
xanthohumol(1−) (CHEBI:134289) is a phenolate anion (CHEBI:50525)
xanthohumol(1−) (CHEBI:134289) is conjugate base of xanthohumol (CHEBI:66331)
Incoming Relation(s)
xanthohumol (CHEBI:66331) is conjugate acid of xanthohumol(1−) (CHEBI:134289)
IUPAC Name 
3-hydroxy-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-2-(3-methylbut-2-en-1-yl)phenolate