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CHEBI:16832 - kievitone

Default Structure
ChEBI IDCHEBI:16832
ChEBI Namekievitone
Stars
DefinitionA hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 5, 7, 2' and 4' and a prenyl group at position 8.
Secondary ChEBI IDsCHEBI:6135, CHEBI:14493, CHEBI:24984
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H20O6
Net Charge0
Average Mass356.374
Monoisotopic Mass356.12599
SMILESCC(C)=CCc1c(O)cc(O)c2c1OCC(c1ccc(O)cc1O)C2=O
InChIInChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3
InChIKeyMERHMOCEIBOOMA-UHFFFAOYSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
kievitone (CHEBI:16832) has role antineoplastic agent (CHEBI:35610)
kievitone (CHEBI:16832) has role metabolite (CHEBI:25212)
kievitone (CHEBI:16832) has role phytoalexin (CHEBI:26115)
kievitone (CHEBI:16832) is a hydroxyisoflavanone (CHEBI:72739)
kievitone (CHEBI:16832) is conjugate acid of kievitone-7-olate (CHEBI:57914)
Incoming Relation(s)
kievitone hydrate (CHEBI:17529) has functional parent kievitone (CHEBI:16832)
kievitone-7-olate (CHEBI:57914) is conjugate base of kievitone (CHEBI:16832)
IUPAC Name 
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one
Synonym  Source
KievitoneKEGG COMPOUND
UniProt Name  Source
kievitoneUniProt
Manual XrefsDatabases
C00002541KNApSAcK
C01590KEGG COMPOUND
HMDB0034213HMDB
KIEVITONE-CPDMetaCyc
LMPK12050479LIPID MAPS
Registry NumbersSources
CAS:40105-60-0KEGG COMPOUND
Citations