kievitone (CHEBI:16832)

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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	ZINC000003978005

Download	Molfile XML SDF

Formula

C20H20O6

Net Charge

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.

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

Registry Number	Type	Source
40105-60-0	CAS Registry Number	KEGG COMPOUND

Last Modified

28 July 2014