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CHEBI:69085 - allolicoisoflavone A
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ChEBI Name
allolicoisoflavone A
ChEBI ID
CHEBI:69085
Definition
A hydroxyisoflavone that is isoflavanone substituted by hydroxy groups at positions 5, 7, 2ʼ and 4ʼ and a prenyl group at position 5. It has been isolated from
Glycyrrhiza uralensis
.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C20H18O6
Net Charge
0
Average Mass
354.35330
Monoisotopic Mass
354.11034
InChI
InChI=1S/C20H18O6/c1-
10(2)
3-
4-
11-
5-
13(16(23)
8-
15(11)
22)
14-
9-
26-
18-
7-
12(21)
6-
17(24)
19(18)
20(14)
25/h3,5-
9,21-
24H,4H2,1-
2H3
InChIKey
WHPDMWPIFCRONU-UHFFFAOYSA-N
SMILES
CC(C)=CCc1cc(c(O)cc1O)-c1coc2cc(O)cc(O)c2c1=O
Metabolite of Species
Details
Glycyrrhiza uralensis
(NCBI:txid74613)
Found in root
(BTO:0001188)
. Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier 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
allolicoisoflavone A (
CHEBI:69085
)
has role
plant metabolite (
CHEBI:76924
)
allolicoisoflavone A (
CHEBI:69085
)
is a
hydroxyisoflavone (
CHEBI:38755
)
IUPAC Name
3-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-4
H
-chromen-4-one
Synonym
Source
2ʼ,4ʼ,5,7-tetrahydroxy-5ʼ-(3-methyl-2-butenyl)isoflavone
ChEBI
Registry Number
Type
Source
5453934
Reaxys Registry Number
Reaxys
Citation
Type
Source
22074222
PubMed citation
Europe PMC
Last Modified
09 January 2014