Isoxanthohumol (CHEBI:171798)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Isoxanthohumol

ChEBI ID	CHEBI:171798

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H22O5

Net Charge

Average Mass

354.402

Monoisotopic Mass

354.14672

InChI

InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3

InChIKey

YKGCBLWILMDSAV-UHFFFAOYSA-N

SMILES

O1C(CC(=O)C=2C1=C(CC=C(C)C)C(O)=CC2OC)C3=CC=C(O)C=C3

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). See: MetaboLights Study

ChEBI Ontology
Outgoing	Isoxanthohumol (CHEBI:171798) is a flavanones (CHEBI:28863)

IUPAC Name

7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one