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CHEBI:131792 - isoorientin 7,3'-dimethyl ether

ChEBI IDCHEBI:131792
ChEBI Nameisoorientin 7,3'-dimethyl ether
Stars
DefinitionA tetrahydroxyflavone that is isoorientin in which the phenolic hydrogens at positions 3' and 7 have been replaced by methyl groups.
Last Modified18 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC23H24O11
Net Charge0
Average Mass476.434
Monoisotopic Mass476.13186
SMILESCOc1cc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)ccc1O
InChIInChI=1S/C23H24O11/c1-31-13-5-9(3-4-10(13)25)12-6-11(26)17-15(33-12)7-14(32-2)18(20(17)28)23-22(30)21(29)19(27)16(8-24)34-23/h3-7,16,19,21-25,27-30H,8H2,1-2H3/t16-,19-,21+,22-,23+/m1/s1
InChIKeyJCIFZANQIXZLGH-QJLVSEQISA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530)
seed (BTO:0001226) PubMed (26860358)
seed (BTO:0001226) MetaboLights (MTBLS287)
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)
isoorientin 7,3'-dimethyl ether (CHEBI:131792) has functional parent isoorientin (CHEBI:17965)
isoorientin 7,3'-dimethyl ether (CHEBI:131792) has role plant metabolite (CHEBI:76924)
isoorientin 7,3'-dimethyl ether (CHEBI:131792) is a dihydroxyflavone (CHEBI:38686)
isoorientin 7,3'-dimethyl ether (CHEBI:131792) is a dimethoxyflavone (CHEBI:23798)
isoorientin 7,3'-dimethyl ether (CHEBI:131792) is a flavone C-glycoside (CHEBI:83280)
isoorientin 7,3'-dimethyl ether (CHEBI:131792) is a polyphenol (CHEBI:26195)
IUPAC Name 
(1S)-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol
Synonyms  Source
7,3'-Di-O-methylisoorientinLIPID MAPS
7,3'-dimethoxyluteolin-6-C-β-glucosideChEBI
7,3'-dimethoxyluteolin-6-C-β-D-glucopyranosideChEBI
7,3'-dimethoxyluteolin-6-C-β-D-glucosideChEBI
6-beta-D-Glucopyranosyl-4',5-dihydroxy-3',7-dimethoxyflavoneHMDB
isoorientin 3',7-dimethyl etherChEBI
Manual XrefsDatabases
35014437ChemSpider
LMPK12111048LIPID MAPS
C00006142KNApSAcK
HMDB0037568HMDB
Registry NumbersSources
Reaxys:7003797Reaxys
CAS:74198-15-5KNApSAcK
Citations