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CHEBI:69096 - 1-methoxyficifolinol

ChEBI IDCHEBI:69096
ChEBI Name1-methoxyficifolinol
Stars
DefinitionA member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 1 and a prenyl groups at positions 2 and 8. It has been isolated from Glycyrrhiza uralensis.
Last Modified16 January 2014
DownloadsMolfile
FormulaC26H30O5
Net Charge0
Average Mass422.521
Monoisotopic Mass422.20932
SMILES[H][C@@]12COc3cc(O)c(CC=C(C)C)c(OC)c3[C@]1([H])Oc1cc(O)c(CC=C(C)C)cc12
InChIInChI=1S/C26H30O5/c1-14(2)6-8-16-10-18-19-13-30-23-12-21(28)17(9-7-15(3)4)25(29-5)24(23)26(19)31-22(18)11-20(16)27/h6-7,10-12,19,26-28H,8-9,13H2,1-5H3/t19-,26+/m0/s1
InChIKeyWIEKYGJSRGBBTQ-AFMDSPMNSA-N
Species of MetaboliteComponentSourceComments
Glycyrrhiza uralensis (ncbitaxon:74613) root (BTO:0001188) PubMed (22074222) Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier
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)
1-methoxyficifolinol (CHEBI:69096) has functional parent (6aR,11aR)-pterocarpan (CHEBI:73133)
1-methoxyficifolinol (CHEBI:69096) has role plant metabolite (CHEBI:76924)
1-methoxyficifolinol (CHEBI:69096) is a aromatic ether (CHEBI:35618)
1-methoxyficifolinol (CHEBI:69096) is a polyphenol (CHEBI:26195)
1-methoxyficifolinol (CHEBI:69096) is a pterocarpans (CHEBI:26377)
IUPAC Name 
(6aR,11aR)-1-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Synonyms  Source
(6aR,11aR)-1-methoxy-8-(3-methyl-but-2-enyl)-2-(3-methyl-but-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,9-diolChEBI
3,9-dihydroxy-1-methoxy-2,8-diprenylpterocarpanLIPID MAPS
Manual XrefsDatabases
LMPK12070096LIPID MAPS
HMDB0038109HMDB
Registry NumbersSources
Reaxys:3635997Reaxys
Citations