CHEBI:5989 - isobutrin

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ChEBI Name isobutrin
ChEBI ID CHEBI:5989
Definition A member of the class of chalcones that is trans-chalcone substituted by β-D-glucopyranosyloxy groups at positions 3 and 4' and hydroxy groups at positions 4 and 2' respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H32O15
Net Charge 0
Average Mass 596.53400
Monoisotopic Mass 596.17412
InChI InChI=1S/C27H32O15/c28-9-18-20(33)22(35)24(37)26(41-18)39-12-3-4-13(16(32)8-12)14(30)5-1-11-2-6-15(31)17(7-11)40-27-25(38)23(36)21(34)19(10-29)42-27/h1-8,18-29,31-38H,9-10H2/b5-1+/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey XOTWNDIAAITUKR-KUUXHJTOSA-N
SMILES OC[C@H]1O[C@@H](Oc2ccc(C(=O)\C=C\c3ccc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Metabolite of Species Details
Butea monosperma (NCBI:txid56060) Found in flower (BTO:0000469). 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): hepatoprotective agent
Any compound that is able to prevent damage to the liver.
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isobutrin (CHEBI:5989) has functional parent trans-chalcone (CHEBI:48965)
isobutrin (CHEBI:5989) has role anti-inflammatory agent (CHEBI:67079)
isobutrin (CHEBI:5989) has role hepatoprotective agent (CHEBI:62868)
isobutrin (CHEBI:5989) has role plant metabolite (CHEBI:76924)
isobutrin (CHEBI:5989) is a β-D-glucoside (CHEBI:22798)
isobutrin (CHEBI:5989) is a chalcones (CHEBI:23086)
isobutrin (CHEBI:5989) is a monosaccharide derivative (CHEBI:63367)
isobutrin (CHEBI:5989) is a phenols (CHEBI:33853)
IUPAC Name
5-{(1E)-3-[4-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]-3-oxoprop-1-en-1-yl}-2-hydroxyphenyl β-D-glucopyranoside
Synonym Source
3,4'-bis-β-D-glucopyranosyloxy-4,2'-dihydroxy-transchalcone ChEBI
Manual Xrefs Databases
C00002382 KNApSAcK
C08649 KEGG COMPOUND
LMPK12120020 LIPID MAPS
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Registry Numbers Types Sources
101892 Reaxys Registry Number Reaxys
536-01-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21608995 PubMed citation Europe PMC
23680157 PubMed citation Europe PMC
3725938 PubMed citation Europe PMC
Last Modified
08 June 2015