CHEBI:134345 - deoxyhumulone

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ChEBI Name deoxyhumulone
ChEBI ID CHEBI:134345
Definition A 2-acyl-4,6-diprenylphloroglucinol in which the acyl group is specified as 3-methylbutanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C21H30O4
Net Charge 0
Average Mass 346.461
Monoisotopic Mass 346.21441
InChI InChI=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
InChIKey NQYBQBZOHCACCR-UHFFFAOYSA-N
SMILES C1(O)=C(CC=C(C)C)C(=C(C(O)=C1CC=C(C)C)C(=O)CC(C)C)O
Metabolite of Species Details
Humulus lupulus (NCBI:txid3486) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing deoxyhumulone (CHEBI:134345) has role plant metabolite (CHEBI:76924)
deoxyhumulone (CHEBI:134345) is a 2-acyl-4,6-diprenylphloroglucinol (CHEBI:136850)
Synonyms Sources
3,5-Bis(3-methyl-2-butenyl)phlorisovalerophenone HMDB
3,5-diprenylphlorisovalerophenone ChEBI
4-Deoxy-humulone HMDB
4-Deoxyhumulone ChemIDplus
deoxyhumulone UniProt
diprenylphlorisovalerophenone MetaCyc
Manual Xrefs Databases
CPD-7105 MetaCyc
HMDB0036624 HMDB
View more database links
Registry Numbers Types Sources
2061212 Reaxys Registry Number Reaxys
4374-93-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
25564559 PubMed citation SUBMITTER
Last Modified
18 April 2017