CHEBI:28521 - kolaflavanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name kolaflavanone
ChEBI ID CHEBI:28521
Definition A biflavonoid isolated from the seeds of Garcinia kola that has been shown to exhibit hepatoprotective activity.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:24988, CHEBI:6143
Supplier Information
Download Molfile XML SDF
Formula C31H24O12
Net Charge 0
Average Mass 588.51510
Monoisotopic Mass 588.12678
InChI InChI=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
InChIKey GJWXCPDVDRIBKP-CNTBMXMRSA-N
SMILES COc1ccc(cc1O)[C@H]1Oc2c([C@@H]3[C@H](Oc4cc(O)cc(O)c4C3=O)c3ccc(O)cc3)c(O)cc(O)c2C(=O)[C@@H]1O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(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'-dione ChemIDplus
Kolaflavanone KEGG COMPOUND
Manual Xrefs Databases
C00000976 KNApSAcK
C09761 KEGG COMPOUND
LMPK12040002 LIPID MAPS
View more database links
Registry Numbers Types Sources
68705-66-8 CAS Registry Number KEGG COMPOUND
68705-66-8 CAS Registry Number ChemIDplus
8747215 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10828505 PubMed citation Europe PMC
12058322 PubMed citation Europe PMC
15730433 PubMed citation Europe PMC
3838940 PubMed citation Europe PMC
Last Modified
06 April 2018