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CHEBI:66391 - millewanin G

ChEBI IDCHEBI:66391
ChEBI Namemillewanin G
Stars
DefinitionA member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7, 3' and 4', a prenyl group at position 8 and a 2-hydroxy-3-methylbut-3-enyl moiety at position 6. Isolated from the leaves of Millettia pachycarpa, it exhibits antiestrogenic activity.
Last Modified16 January 2014
DownloadsMolfile
FormulaC25H26O7
Net Charge0
Average Mass438.476
Monoisotopic Mass438.16785
SMILESC=C(C)C(O)Cc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O
InChIInChI=1S/C25H26O7/c1-12(2)5-7-15-22(29)16(10-19(27)13(3)4)23(30)21-24(31)17(11-32-25(15)21)14-6-8-18(26)20(28)9-14/h5-6,8-9,11,19,26-30H,3,7,10H2,1-2,4H3
InChIKeyFSQKKJIBNQATIX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Millettia pachycarpa (ncbitaxon:690557) leaf (BTO:0000713) PubMed (16441086) 10:11 Enantiomeric mixture
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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 G (CHEBI:66391) has role anti-estrogen (CHEBI:50751)
millewanin G (CHEBI:66391) has role plant metabolite (CHEBI:76924)
millewanin G (CHEBI:66391) is a 7-hydroxyisoflavones (CHEBI:55465)
millewanin G (CHEBI:66391) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Registry NumbersSources
Reaxys:18586900Reaxys
Citations