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CHEBI:134353 - deoxycohumulone

ChEBI IDCHEBI:134353
ChEBI Namedeoxycohumulone
Stars
DefinitionA 2-acyl-4,6-diprenylphloroglucinol in which the acyl group is specified as isobutyryl.
Last Modified19 April 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC(C)=CCc1c(O)c(CC=C(C)C)c(O)c(C(=O)C(C)C)c1O
InChIInChI=1S/C20H28O4/c1-11(2)7-9-14-18(22)15(10-8-12(3)4)20(24)16(19(14)23)17(21)13(5)6/h7-8,13,22-24H,9-10H2,1-6H3
InChIKeyKKFIZYKKQLWBKH-UHFFFAOYSA-N
Roles Classification
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
ChEBI Ontology
Outgoing Relation(s)
deoxycohumulone (CHEBI:134353) has role agrochemical (CHEBI:33286)
deoxycohumulone (CHEBI:134353) has role insecticide (CHEBI:24852)
deoxycohumulone (CHEBI:134353) is a 2-acyl-4,6-diprenylphloroglucinol (CHEBI:136850)
IUPAC Name 
2-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]propan-1-one
Synonyms  Source
diprenylphlorisobutyrophenoneMetaCyc
3,5-diprenylphlorisobutyrophenoneChEBI
3,5-Bis(3-methyl-2-butenyl)phlorisobutyrophenoneHMDB
UniProt Name  Source
deoxycohumuloneUniProt
Manual XrefsDatabases
HMDB0036623HMDB
CPD-7107MetaCyc
Registry NumbersSources
Reaxys:2059082Reaxys
CAS:5880-42-2HMDB
Citations