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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:80839 - isoliquiritin
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ChEBI Name
isoliquiritin
ChEBI ID
CHEBI:80839
Definition
A monosaccharide derivative that is
trans
-chalcone substituted by hydroxy groups at positions 2' and 4' and a β-
D
-glucopyranosyloxy group at position 4 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H22O9
Net Charge
0
Average Mass
418.39400
Monoisotopic Mass
418.12638
InChI
InChI=1S/C21H22O9/c22-
10-
17-
18(26)
19(27)
20(28)
21(30-
17)
29-
13-
5-
1-
11(2-
6-
13)
3-
8-
15(24)
14-
7-
4-
12(23)
9-
16(14)
25/h1-
9,17-
23,25-
28H,10H2/b8-
3+/t17-
,18-
,19+,20-
,21-
/m1/s1
InChIKey
YNWXJFQOCHMPCK-LXGDFETPSA-N
SMILES
OC[C@H]1O[C@@H](Oc2ccc(\C=C\C(=O)c3ccc(O)cc3O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Metabolite of Species
Details
Glycyrrhiza glabra
(NCBI:txid49827)
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.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isoliquiritin (
CHEBI:80839
)
has functional parent
trans
-chalcone (
CHEBI:48965
)
isoliquiritin (
CHEBI:80839
)
has role
antineoplastic agent (
CHEBI:35610
)
isoliquiritin (
CHEBI:80839
)
has role
plant metabolite (
CHEBI:76924
)
isoliquiritin (
CHEBI:80839
)
is a
β-
D
-glucoside (
CHEBI:22798
)
isoliquiritin (
CHEBI:80839
)
is a
chalcones (
CHEBI:23086
)
isoliquiritin (
CHEBI:80839
)
is a
monosaccharide derivative (
CHEBI:63367
)
isoliquiritin (
CHEBI:80839
)
is a
resorcinols (
CHEBI:33572
)
IUPAC Name
4-
[(1
E
)-
3-
(2,4-
dihydroxyphenyl)-
3-
oxoprop-
1-
en-
1-
yl]phenyl β-
D
-
glucopyranoside
Synonym
Source
4-β-
D
-glucopyranosyloxy-2',4'-dihydroxy-
trans
-chalcone
ChEBI
Manual Xrefs
Databases
C16978
KEGG COMPOUND
HMDB0037318
HMDB
LMPK12120021
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
5041-81-6
CAS Registry Number
KEGG COMPOUND
59159
Reaxys Registry Number
Reaxys
Citations
Types
Sources
23325115
PubMed citation
Europe PMC
23336517
PubMed citation
Europe PMC
24247527
PubMed citation
Europe PMC
25871879
PubMed citation
Europe PMC
Last Modified
08 June 2015