EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:67245 - (−)-pinoresinol

ChEBI IDCHEBI:67245
ChEBI Name(−)-pinoresinol
Stars
ASCII Name(-)-pinoresinol
DefinitionAn enantiomer of pinoresinol having (−)-1R,3aS,4R,6aS-configuration.
Last Modified26 May 2015
SubmitterKAX
DownloadsMolfile
FormulaC20H22O6
Net Charge0
Average Mass358.390
Monoisotopic Mass358.14164
SMILES[H][C@@]12CO[C@@H](c3ccc(O)c(OC)c3)[C@]1([H])CO[C@H]2c1ccc(O)c(OC)c1
InChIInChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1
InChIKeyHGXBRUKMWQGOIE-NSMLZSOPSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Machilus robusta (ncbitaxon:460780) bark (BTO:0001301) PubMed (21627109) 95%aqueous EtOH extract of air-dried bark
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)
(−)-pinoresinol (CHEBI:67245) has role plant metabolite (CHEBI:76924)
(−)-pinoresinol (CHEBI:67245) is a pinoresinol (CHEBI:8225)
Incoming Relation(s)
(−)-demethoxylpinoresinol (CHEBI:65738) has functional parent (−)-pinoresinol (CHEBI:67245)
IUPAC Name 
(7β,7'β,8β,8'β)-3,3'-dimethoxy-7,9':7',9-diepoxylignane-4,4'-diol
Synonym  Source
4,4'-(1R,3aS,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol)IUPAC
UniProt Name  Source
(−)-pinoresinolUniProt
Manual XrefsDatabases
CPD-8906MetaCyc
PinoresinolWikipedia
Registry NumbersSources
Reaxys:4238047Reaxys
Citations