CHEBI:16832 - kievitone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name kievitone
ChEBI ID CHEBI:16832
Definition A hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 5, 7, 2' and 4' and a prenyl group at position 8.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6135, CHEBI:14493, CHEBI:24984
Supplier Information
Download Molfile XML SDF
Formula C20H20O6
Net Charge 0
Average Mass 356.36920
Monoisotopic Mass 356.12599
InChI InChI=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
InChIKey MERHMOCEIBOOMA-UHFFFAOYSA-N
SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C(COc12)c1ccc(O)cc1O
Roles Classification
Biological Role(s): phytoalexin
A toxin made by a plant that acts against an organism attacking it.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
Kievitone KEGG COMPOUND
kievitone UniProt
Manual Xrefs Databases
C00002541 KNApSAcK
C01590 KEGG COMPOUND
HMDB0034213 HMDB
KIEVITONE-CPD MetaCyc
LMPK12050479 LIPID MAPS
View more database links
Registry Number Type Source
40105-60-0 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
16665944 PubMed citation Europe PMC
21133423 PubMed citation Europe PMC
7794275 PubMed citation Europe PMC
IND23253127 Agricola citation Europe PMC
IND44293716 Agricola citation Europe PMC
Last Modified
28 July 2014