The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

xanthohumol

Synonyms

C21H22O5

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

2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone

ID

http://purl.obolibrary.org/obo/CHEBI_66331

Definition

A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells.

has role

http://purl.obolibrary.org/obo/CHEBI_35610

http://purl.obolibrary.org/obo/CHEBI_26619

http://purl.obolibrary.org/obo/CHEBI_68495

http://purl.obolibrary.org/obo/CHEBI_64947

http://purl.obolibrary.org/obo/CHEBI_22587

http://purl.obolibrary.org/obo/CHEBI_64919

InChI

InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+

InChIKey

InChIKey=ORXQGKIUCDPEAJ-YRNVUSSQSA-N

label

xanthohumol

prefixIRI

obo2:CHEBI_66331

prefLabel

xanthohumol

SMILES

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

Synonym

C21H22O5

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

2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone

xref

CiteXplore:22111577

CiteXplore:15679315

Patent:WO2009126320

CASRN:6754-58-1

ChEMBL:521551

CiteXplore:15550272

CiteXplore:15723722

Patent:EP2579862

Reaxys:2226282

KEGG COMPOUND:C16417

MetaCyc:CPD-7119

CiteXplore:14670594

LIPID MAPS:LMPK12120294

HMDB:HMDB37479

CiteXplore:19634869

Wikipedia:Xanthohumol

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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