EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70032 - 3'-O-methylorobol

ChEBI IDCHEBI:70032
ChEBI Name3'-O-methylorobol
Stars
ASCII Name3'-O-methylorobol
DefinitionA hydroxyisoflavone that is orobol in which the hydroxy group at position 3' has been replaced by a methoxy group. It has been isolated from Crotalaria lachnophora.
Last Modified25 June 2015
DownloadsMolfile
FormulaC16H12O6
Net Charge0
Average Mass300.266
Monoisotopic Mass300.06339
SMILESCOc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O
InChIInChI=1S/C16H12O6/c1-21-13-4-8(2-3-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3
InChIKeyZMFBGWWGXBNJAC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Crotalaria lachnophora (IPNI:488342-1) whole plant (BTO:0001461) PubMed (21265557) Chloroform soluble fraction of CH2Cl2/MeOH (1:1) crude extract of dried and powdered whole plant
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)
3'-O-methylorobol (CHEBI:70032) has functional parent orobol (CHEBI:69437)
3'-O-methylorobol (CHEBI:70032) has role plant metabolite (CHEBI:76924)
3'-O-methylorobol (CHEBI:70032) is a hydroxyisoflavone (CHEBI:38755)
3'-O-methylorobol (CHEBI:70032) is a methoxyisoflavone (CHEBI:38756)
IUPAC Name 
5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
Synonym  Source
5,7,4'-trihydroxy-3'-methoxyisoflavoneChEBI
Registry NumbersSources
Reaxys:4264882Reaxys
Citations