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CHEBI:66392 - millewanin H

ChEBI IDCHEBI:66392
ChEBI Namemillewanin H
Stars
DefinitionA hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7, 3' and 4', a prenyl group at position 6 and a 2-hydroxy-3-methylbut-3-enyl moiety at position 8. Isolated from the leaves of Millettia pachycarpa, it exhibits antiestrogenic activity.
Last Modified10 April 2013
DownloadsMolfile
FormulaC25H26O7
Net Charge0
Average Mass438.476
Monoisotopic Mass438.16785
SMILESC=C(C)C(O)Cc1c(O)c(CC=C(C)C)c(O)c2c(=O)c(-c3ccc(O)c(O)c3)coc12
InChIInChI=1S/C25H26O7/c1-12(2)5-7-15-22(29)16(10-19(27)13(3)4)25-21(23(15)30)24(31)17(11-32-25)14-6-8-18(26)20(28)9-14/h5-6,8-9,11,19,26-30H,3,7,10H2,1-2,4H3
InChIKeyRZHIZFURFGRHHQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Millettia pachycarpa (ncbitaxon:690557) leaf (BTO:0000713) PubMed (16441086) 10:11 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)
millewanin H (CHEBI:66392) has role anti-estrogen (CHEBI:50751)
millewanin H (CHEBI:66392) has role metabolite (CHEBI:25212)
millewanin H (CHEBI:66392) is a hydroxyisoflavone (CHEBI:38755)
millewanin H (CHEBI:66392) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-en-1-yl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Registry NumbersSources
Reaxys:18586901Reaxys
Citations