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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:134353 - deoxycohumulone
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ChEBI Ontology
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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
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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.
View more via ChEBI Ontology
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
View more database links
Registry Numbers
Types
Sources
2059082
Reaxys Registry Number
Reaxys
5880-42-2
CAS Registry Number
HMDB
Citations
Types
Sources
24377447
PubMed citation
Europe PMC
25564559
PubMed citation
SUBMITTER
Last Modified
19 April 2017