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ChEBI
> Main
CHEBI:80489 - desmethylxanthohumol
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ChEBI Name
desmethylxanthohumol
ChEBI ID
CHEBI:80489
Definition
A member of the class of chalcones that is
trans
-chalcone substituted by hydroxy groups at positions 4, 2', 4', and 6' and a 3-methylbut-2-en-1-yl group at position 3'.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H20O5
Net Charge
0
Average Mass
340.36980
Monoisotopic Mass
340.13107
InChI
InChI=1S/C20H20O5/c1-
12(2)
3-
9-
15-
17(23)
11-
18(24)
19(20(15)
25)
16(22)
10-
6-
13-
4-
7-
14(21)
8-
5-
13/h3-
8,10-
11,21,23-
25H,9H2,1-
2H3/b10-
6+
InChIKey
FUSADYLVRMROPL-UXBLZVDNSA-N
SMILES
CC(C)=CCc1c(O)cc(O)c(C(=O)\C=C\c2ccc(O)cc2)c1O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
desmethylxanthohumol (
CHEBI:80489
)
has functional parent
trans
-chalcone (
CHEBI:48965
)
desmethylxanthohumol (
CHEBI:80489
)
has role
plant metabolite (
CHEBI:76924
)
desmethylxanthohumol (
CHEBI:80489
)
is a
2-acyl-4-prenylphloroglucinol (
CHEBI:134339
)
desmethylxanthohumol (
CHEBI:80489
)
is a
chalcones (
CHEBI:23086
)
desmethylxanthohumol (
CHEBI:80489
)
is conjugate acid of
desmethylxanthohumol(1−) (
CHEBI:134302
)
Incoming
desmethylxanthohumol(1−) (
CHEBI:134302
)
is conjugate base of
desmethylxanthohumol (
CHEBI:80489
)
IUPAC Name
(2
E
)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
Synonym
Source
desmethylxanthohumol
UniProt
Manual Xrefs
Databases
C00035575
KNApSAcK
C16416
KEGG COMPOUND
HMDB0030610
HMDB
View more database links
Registry Numbers
Types
Sources
115063-39-3
CAS Registry Number
ChemIDplus
6233194
Reaxys Registry Number
Reaxys
Citations
Types
Sources
21912858
PubMed citation
Europe PMC
23947133
PubMed citation
Europe PMC
Last Modified
15 May 2024