EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:142880 - 7,2'-dihydroxy-4'-methoxyisoflavanol

ChEBI IDCHEBI:142880
ChEBI Name7,2'-dihydroxy-4'-methoxyisoflavanol
Stars
DefinitionA member of the class of isoflavans that is isoflavan-4-ol substituted at positions 7 and 2' by hydroxy groups and at position 4' by a methoxy group.
Last Modified15 November 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H16O5
Net Charge0
Average Mass288.299
Monoisotopic Mass288.09977
SMILESCOc1ccc(C2COc3cc(O)ccc3C2O)c(O)c1
InChIInChI=1S/C16H16O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,16-19H,8H2,1H3
InChIKeyYZBBUYKPTHDZHF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Solanum lyratum (ncbitaxon:230192) whole plant (BTO:0001461) PubMed (20522996)
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)
7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:142880) has role plant metabolite (CHEBI:76924)
7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:142880) is a aromatic ether (CHEBI:35618)
7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:142880) is a hydroxyisoflavans (CHEBI:76250)
7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:142880) is a methoxyisoflavan (CHEBI:77002)
7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:142880) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is a 7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:142880)
(3S,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:142866) is a 7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:142880)
IUPAC Name 
3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,7-diol
Synonyms  Source
3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,7-diolIUPAC
4'-methoxyisoflavan-2',4,7-triolChEBI
Citations