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CHEBI:28521 - kolaflavanone

ChEBI IDCHEBI:28521
ChEBI Namekolaflavanone
Stars
DefinitionA biflavonoid isolated from the seeds of Garcinia kola that has been shown to exhibit hepatoprotective activity.
Secondary ChEBI IDsCHEBI:6143, CHEBI:24988
Last Modified6 April 2018
DownloadsMolfile
FormulaC31H24O12
Net Charge0
Average Mass588.521
Monoisotopic Mass588.12678
SMILESCOc1ccc([C@H]2Oc3c(c(O)cc(O)c3[C@H]3C(=O)c4c(O)cc(O)cc4O[C@@H]3c3ccc(O)cc3)C(=O)[C@@H]2O)cc1O
InChIInChI=1S/C31H24O12/c1-41-20-7-4-13(8-16(20)34)30-28(40)27(39)24-19(37)11-18(36)23(31(24)43-30)25-26(38)22-17(35)9-15(33)10-21(22)42-29(25)12-2-5-14(32)6-3-12/h2-11,25,28-30,32-37,40H,1H3/t25-,28-,29+,30+/m0/s1
InChIKeyGJWXCPDVDRIBKP-CNTBMXMRSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
hepatoprotective agent  Any compound that is able to prevent damage to the liver.
ChEBI Ontology
Outgoing Relation(s)
kolaflavanone (CHEBI:28521) has role hepatoprotective agent (CHEBI:62868)
kolaflavanone (CHEBI:28521) has role plant metabolite (CHEBI:76924)
kolaflavanone (CHEBI:28521) is a 4'-methoxyflavanones (CHEBI:140332)
kolaflavanone (CHEBI:28521) is a biflavonoid (CHEBI:50128)
kolaflavanone (CHEBI:28521) is a dihydroflavonols (CHEBI:48039)
kolaflavanone (CHEBI:28521) is a ring assembly (CHEBI:36820)
kolaflavanone (CHEBI:28521) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(2S,2'R,3R,3'R)-3',5,5',7,7'-pentahydroxy-2'-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione
Synonyms  Source
KolaflavanoneKEGG COMPOUND
(2S,2'R,3R,3'R)-2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy-2'-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-(3,8'-bi-4H-1-benzopyran)-4,4'-dioneChemIDplus
Manual XrefsDatabases
C09761KEGG COMPOUND
LMPK12040002LIPID MAPS
C00000976KNApSAcK
Registry NumbersSources
Reaxys:8747215Reaxys
CAS:68705-66-8KEGG COMPOUND
CAS:68705-66-8ChemIDplus
Citations