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CHEBI:134345 - deoxyhumulone

ChEBI IDCHEBI:134345
ChEBI Namedeoxyhumulone
Stars
DefinitionA 2-acyl-4,6-diprenylphloroglucinol in which the acyl group is specified as 3-methylbutanoyl.
Last Modified18 April 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILESCC(C)=CCc1c(O)c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c1O
InChIInChI=1S/C21H30O4/c1-12(2)7-9-15-19(23)16(10-8-13(3)4)21(25)18(20(15)24)17(22)11-14(5)6/h7-8,14,23-25H,9-11H2,1-6H3
InChIKeyNQYBQBZOHCACCR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Humulus lupulus (ncbitaxon:3486) - PubMed (25564559)
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)
deoxyhumulone (CHEBI:134345) has role plant metabolite (CHEBI:76924)
deoxyhumulone (CHEBI:134345) is a 2-acyl-4,6-diprenylphloroglucinol (CHEBI:136850)
Synonyms  Source
3,5-diprenylphlorisovalerophenoneChEBI
4-DeoxyhumuloneChemIDplus
3,5-Bis(3-methyl-2-butenyl)phlorisovalerophenoneHMDB
4-Deoxy-humuloneHMDB
diprenylphlorisovalerophenoneMetaCyc
UniProt Name  Source
deoxyhumuloneUniProt
Manual XrefsDatabases
HMDB0036624HMDB
CPD-7105MetaCyc
Registry NumbersSources
Reaxys:2061212Reaxys
CAS:4374-93-0ChemIDplus
Citations