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CHEBI:68137 - 4α-hydroxypinoresinol

Default Structure
ChEBI IDCHEBI:68137
ChEBI Name4α-hydroxypinoresinol
Stars
ASCII Name4alpha-hydroxypinoresinol
DefinitionA lignan that is pinoresinol substituted by a hydroxy group at position 4. It has been isolated from the roots of Scorzonera judaica.
Last Modified7 April 2017
DownloadsMolfile
FormulaC20H22O7
Net Charge0
Average Mass374.389
Monoisotopic Mass374.13655
SMILES[H][C@]12[C@H](O)O[C@H](c3ccc(O)c(OC)c3)[C@]1([H])CO[C@H]2c1ccc(O)c(OC)c1
InChIInChI=1S/C20H22O7/c1-24-15-7-10(3-5-13(15)21)18-12-9-26-19(17(12)20(23)27-18)11-4-6-14(22)16(8-11)25-2/h3-8,12,17-23H,9H2,1-2H3/t12-,17+,18-,19+,20-/m1/s1
InChIKeyREZVXIYYURPOSL-ARALLLCVSA-N
Species of MetaboliteComponentSourceComments
Scorzonera judaica (ncbitaxon:895824-1) tuberous root (BTO:0001309) PubMed (21650157) Dried powdered roots
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)
4α-hydroxypinoresinol (CHEBI:68137) has functional parent pinoresinol (CHEBI:8225)
4α-hydroxypinoresinol (CHEBI:68137) has role plant metabolite (CHEBI:76924)
4α-hydroxypinoresinol (CHEBI:68137) is a furofuran (CHEBI:47790)
4α-hydroxypinoresinol (CHEBI:68137) is a guaiacols (CHEBI:134251)
4α-hydroxypinoresinol (CHEBI:68137) is a lignan (CHEBI:25036)
IUPAC Name 
(1R,3S,3aS,6R,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-ol
Registry NumbersSources
Reaxys:6576206Reaxys
Citations