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CHEBI:70026 - 5-hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one

ChEBI IDCHEBI:70026
ChEBI Name5-hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one
Stars
ASCII Name5-hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one
DefinitionAn extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2', 4' and 5', a 3-(hydroxymethyl)but-2-en-1-yl group at position 3 and a 6,6-dimethyl-3,6-dihydro-2H-pyran group across positions 7 and 8. It has been isolated from Artocarpus odoratissimus.
Last Modified13 March 2015
DownloadsMolfile
FormulaC25H24O8
Net Charge0
Average Mass452.459
Monoisotopic Mass452.14712
SMILESC/C(=C/Cc1c(-c2cc(O)c(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3)CO
InChIInChI=1S/C25H24O8/c1-12(11-26)4-5-14-22(31)21-19(30)10-20-13(6-7-25(2,3)33-20)24(21)32-23(14)15-8-17(28)18(29)9-16(15)27/h4,6-10,26-30H,5,11H2,1-3H3/b12-4-
InChIKeyUTYRRYOOGHLXNT-QCDXTXTGSA-N
Species of MetaboliteComponentSourceComments
Artocarpus odoratissimus (ncbitaxon:709058) - PubMed (21275386) Methanol-Dichloromethane (1:1) extract of dried, ground plant material
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.
ChEBI Ontology
Outgoing Relation(s)
5-hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one (CHEBI:70026) has role plant metabolite (CHEBI:76924)
5-hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one (CHEBI:70026) is a extended flavonoid (CHEBI:71037)
5-hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one (CHEBI:70026) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
5-hydroxy-3-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Registry NumbersSources
Reaxys:26277670Reaxys
Citations