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CHEBI:193153 - kwakhurin

ChEBI IDCHEBI:193153
ChEBI Namekwakhurin
Stars
DefinitionA member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with additional hydroxy groups at positions 4' and 6', a methoxy group at position 3' and a prenyl group at position 2'. A characteristic estrogen-like isoflavonoid produced in Pueraria candollei var. mirifica (Leguminosae), which has long been used as a folk medicine for rejuvenation in Thailand.
Last Modified22 August 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H20O6
Net Charge0
Average Mass368.385
Monoisotopic Mass368.12599
SMILESCOc1c(O)cc(O)c(-c2coc3cc(O)ccc3c2=O)c1CC=C(C)C
InChIInChI=1S/C21H20O6/c1-11(2)4-6-14-19(16(23)9-17(24)21(14)26-3)15-10-27-18-8-12(22)5-7-13(18)20(15)25/h4-5,7-10,22-24H,6H2,1-3H3
InChIKeyCFMMELZRMVWLJB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pueraria candollei var. mirifica (ncbitaxon:861244) Root (BTO:0001188) PubMed (30572086)
Roles Classification
Biological Role:
phytoestrogen  Any compound produced by a plant that happens to have estrogenic activity.
ChEBI Ontology
Outgoing Relation(s)
kwakhurin (CHEBI:193153) has role phytoestrogen (CHEBI:76989)
kwakhurin (CHEBI:193153) is a 7-hydroxyisoflavones (CHEBI:55465)
IUPAC Name 
3-[4,6-dihydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenyl]-7-hydroxy-4H-chromen-4-one
Synonyms  Source
2'-(3,3-dimethylallyl)-7,4',6'-trihydroxy-3'-methoxyisoflavoneChEBI
KwaChEBI
3-[4,6-dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)phenyl]-7-hydroxy-4H-1-benzopyran-4-oneChEBI
Citations