candidachalcone (CHEBI:67345)

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ChEBI Name	candidachalcone

ChEBI ID	CHEBI:67345

Definition	A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2ʼ and 4ʼ, a methoxy group at position 6ʼ and a 3-hydroxy-3-methylbut-1-en-1-yl group at position 3ʼ. It has been isolated from the aerial parts of Tephrosia candida.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C21H22O6

Net Charge

Average Mass

370.39580

Monoisotopic Mass

370.14164

InChI

InChI=1S/C21H22O6/c1-21(2,26)11-10-15-17(24)12-18(27-3)19(20(15)25)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24-26H,1-3H3/b9-6+,11-10-

InChIKey

KOWOOXVTWKELMT-RQDFUGDESA-N

SMILES

COc1cc(O)c(\C=C/C(C)(C)O)c(O)c1C(=O)\C=C\c1ccc(O)cc1

Metabolite of Species	Details
Tephrosia candida (IPNI:520444-1)	Found in aerial part (BTO:0001658). CH2Cl2-MeOH (1:1) extract of crushed, air-dried aerial parts See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	candidachalcone (CHEBI:67345) has functional parent trans-chalcone (CHEBI:48965) candidachalcone (CHEBI:67345) has role metabolite (CHEBI:25212) candidachalcone (CHEBI:67345) has role plant metabolite (CHEBI:76924) candidachalcone (CHEBI:67345) is a chalcones (CHEBI:23086) candidachalcone (CHEBI:67345) is a monomethoxybenzene (CHEBI:25235) candidachalcone (CHEBI:67345) is a resorcinols (CHEBI:33572) candidachalcone (CHEBI:67345) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

(2E)-1-{2,4-dihydroxy-3-[(1Z)-3-hydroxy-3-methylbut-1-en-1-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one

Registry Number	Type	Source
21534249	Reaxys Registry Number	Reaxys

Citation	Type	Source
21510635	PubMed citation	Europe PMC

Last Modified

04 December 2013