CHEBI:134353 - deoxycohumulone

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ChEBI Name deoxycohumulone
ChEBI ID CHEBI:134353
Definition A 2-acyl-4,6-diprenylphloroglucinol in which the acyl group is specified as isobutyryl.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C20H28O4
Net Charge 0
Average Mass 332.435
Monoisotopic Mass 332.19876
InChI InChI=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
InChIKey KKFIZYKKQLWBKH-UHFFFAOYSA-N
SMILES OC1=C(C(O)=C(C(O)=C1CC=C(C)C)CC=C(C)C)C(=O)C(C)C
Roles Classification
Application(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
3,5-Bis(3-methyl-2-butenyl)phlorisobutyrophenone HMDB
3,5-diprenylphlorisobutyrophenone ChEBI
deoxycohumulone UniProt
diprenylphlorisobutyrophenone MetaCyc
Manual Xrefs Databases
CPD-7107 MetaCyc
HMDB0036623 HMDB
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Registry Numbers Types Sources
2059082 Reaxys Registry Number Reaxys
5880-42-2 CAS Registry Number HMDB
Citations Waiting for Citations Types Sources
24377447 PubMed citation Europe PMC
25564559 PubMed citation SUBMITTER
Last Modified
19 April 2017