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.
Supplier Information
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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-[(1E)-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 Waiting for 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