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CHEBI:80489 - desmethylxanthohumol

ChEBI IDCHEBI:80489
ChEBI Namedesmethylxanthohumol
Stars
DefinitionA member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2', 4', and 6' and a 3-methylbut-2-en-1-yl group at position 3'.
Last Modified15 May 2024
DownloadsMolfile
FormulaC20H20O5
Net Charge0
Average Mass340.375
Monoisotopic Mass340.13107
SMILESCC(C)=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O
InChIInChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+
InChIKeyFUSADYLVRMROPL-UXBLZVDNSA-N
Species of MetaboliteComponentSourceComments
Humulus lupulus (ncbitaxon:3486) - PubMed (21912858)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
desmethylxanthohumol (CHEBI:80489) has functional parent trans-chalcone (CHEBI:48965)
desmethylxanthohumol (CHEBI:80489) has role plant metabolite (CHEBI:76924)
desmethylxanthohumol (CHEBI:80489) is a 2-acyl-4-prenylphloroglucinol (CHEBI:134339)
desmethylxanthohumol (CHEBI:80489) is a chalcones (CHEBI:23086)
desmethylxanthohumol (CHEBI:80489) is conjugate acid of desmethylxanthohumol(1−) (CHEBI:134302)
Incoming Relation(s)
desmethylxanthohumol(1−) (CHEBI:134302) is conjugate base of desmethylxanthohumol (CHEBI:80489)
IUPAC Name 
(2E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
UniProt Name  Source
desmethylxanthohumolUniProt
Manual XrefsDatabases
C16416KEGG COMPOUND
HMDB0030610HMDB
C00035575KNApSAcK
Registry NumbersSources
Reaxys:6233194Reaxys
CAS:115063-39-3KEGG COMPOUND
CAS:115063-39-3ChemIDplus
Citations