desmethylxanthohumol (CHEBI:80489)

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ChEBI Name	desmethylxanthohumol

ChEBI ID	CHEBI:80489

Definition	A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2', 4', and 6' and a 3-methylbut-2-en-1-yl group at position 3'.

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

Supplier Information

Download	Molfile XML SDF

Formula

C20H20O5

Net Charge

Average Mass

340.36980

Monoisotopic Mass

340.13107

InChI

InChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+

InChIKey

FUSADYLVRMROPL-UXBLZVDNSA-N

SMILES

CC(C)=CCc1c(O)cc(O)c(C(=O)\C=C\c2ccc(O)cc2)c1O

Metabolite of Species	Details
Humulus lupulus (NCBI:txid3486)	See: PubMed

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.

ChEBI Ontology
Outgoing	desmethylxanthohumol (CHEBI:80489) has functional parent trans-chalcone (CHEBI:48965) desmethylxanthohumol (CHEBI:80489) has role plant metabolite (CHEBI:76924) desmethylxanthohumol (CHEBI:80489) is a 2-acyl-4-prenylphloroglucinol (CHEBI:134339) desmethylxanthohumol (CHEBI:80489) is a chalcones (CHEBI:23086) desmethylxanthohumol (CHEBI:80489) is conjugate acid of desmethylxanthohumol(1−) (CHEBI:134302)

Incoming	desmethylxanthohumol(1−) (CHEBI:134302) is conjugate base of desmethylxanthohumol (CHEBI:80489)

IUPAC Name

(2E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one

Last Modified

13 April 2017