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CHEBI:139273 - 4-O-methylxanthohumol(1−)

ChEBI IDCHEBI:139273
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 Modified16 May 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H23O5
Net Charge-1
Average Mass367.421
Monoisotopic Mass367.15510
SMILESCOc1ccc(/C=C/C(=O)c2c(OC)cc(O)c(CC=C(C)C)c2[O-])cc1
InChIInChI=1S/C22H24O5/c1-14(2)5-11-17-19(24)13-20(27-4)21(22(17)25)18(23)12-8-15-6-9-16(26-3)10-7-15/h5-10,12-13,24-25H,11H2,1-4H3/p-1/b12-8+
InChIKeyHOOCUUOYPZNVKX-XYOKQWHBSA-M
ChEBI Ontology
Outgoing Relation(s)
4-O-methylxanthohumol(1−) (CHEBI:139273) is a phenolate anion (CHEBI:50525)
4-O-methylxanthohumol(1−) (CHEBI:139273) is conjugate base of 4-O-methylxanthohumol (CHEBI:139593)
Incoming Relation(s)
4-O-methylxanthohumol (CHEBI:139593) is conjugate acid of 4-O-methylxanthohumol(1−) (CHEBI:139273)
IUPAC Name 
3-hydroxy-5-methoxy-6-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-2-(3-methylbut-2-en-1-yl)phenolate
Citations