kwakhurin (CHEBI:193153)

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ChEBI Name	kwakhurin

ChEBI ID	CHEBI:193153

Definition	A 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C21H20O6

Net Charge

Average Mass

368.385

Monoisotopic Mass

368.12599

InChI

InChI=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

InChIKey

CFMMELZRMVWLJB-UHFFFAOYSA-N

SMILES

COC1=C(CC=C(C)C)C(=C(O)C=C1O)C1=COC2=CC(O)=CC=C2C1=O

Metabolite of Species	Details
Pueraria candollei var. mirifica (NCBI:txid861244)	Found in Root (BTO:0001188). See: PubMed

Roles Classification
Biological Role(s):	phytoestrogen Any compound produced by a plant that happens to have estrogenic activity.

ChEBI Ontology
Outgoing	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	Sources
2'-(3,3-dimethylallyl)-7,4',6'-trihydroxy-3'-methoxyisoflavone	ChEBI
3-[4,6-dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)phenyl]-7-hydroxy-4H-1-benzopyran-4-one	ChEBI
Kwa	ChEBI

Last Modified

22 August 2023