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CHEBI:65934 - furowanin B

ChEBI IDCHEBI:65934
ChEBI Namefurowanin B
Stars
DefinitionA hydroxyisoflavone that is 8,9-dihydro-4H-furo[2,3-h]chromen-4-one substituted by a hydroxy group at position 5, a 3,4-dihydroxyphenyl group at position 3, a 2-hydroxypropan-2-yl group at position 8 and a prenyl group at position 6. Isolated from Millettia pachycarpa, it exhibits anti-estrogenic activity.
Last Modified2 August 2013
DownloadsMolfile
FormulaC25H26O7
Net Charge0
Average Mass438.476
Monoisotopic Mass438.16785
SMILESCC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)CC(C(C)(C)O)O2
InChIInChI=1S/C25H26O7/c1-12(2)5-7-14-21(28)20-22(29)16(13-6-8-17(26)18(27)9-13)11-31-24(20)15-10-19(25(3,4)30)32-23(14)15/h5-6,8-9,11,19,26-28,30H,7,10H2,1-4H3
InChIKeyYOKJEIDBLPWOSL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Millettia pachycarpa (ncbitaxon:690557) leaf (BTO:0000713) PubMed (16441086) 11:10 enantiomeric mixture
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
anti-estrogen  A drug which acts to reduce estrogenic activity in the body, either by reducing the amount of estrogen or by reducing the activity of whatever estrogen is present.
ChEBI Ontology
Outgoing Relation(s)
furowanin B (CHEBI:65934) has role anti-estrogen (CHEBI:50751)
furowanin B (CHEBI:65934) has role metabolite (CHEBI:25212)
furowanin B (CHEBI:65934) is a hydroxyisoflavone (CHEBI:38755)
furowanin B (CHEBI:65934) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
3-(3,4-dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-en-1-yl)-8,9-dihydro-4H-furo[2,3-h]chromen-4-one
Registry NumbersSources
Reaxys:18586899Reaxys
Citations