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CHEBI:67628 - (−)-(7'S,8S,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one

ChEBI IDCHEBI:67628
ChEBI Name(−)-(7'S,8S,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one
Stars
ASCII Name(-)-(7'S,8S,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one
DefinitionA lignan isolated from the stems of Sinocalamus affinis.
Last Modified10 October 2014
DownloadsMolfile
FormulaC22H26O9
Net Charge0
Average Mass434.441
Monoisotopic Mass434.15768
SMILESCOc1cc(C(=O)[C@@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO)cc(OC)c1O
InChIInChI=1S/C22H26O9/c1-27-15-5-11(6-16(28-2)20(15)25)19(24)14-10-31-22(13(14)9-23)12-7-17(29-3)21(26)18(8-12)30-4/h5-8,13-14,22-23,25-26H,9-10H2,1-4H3/t13-,14+,22+/m0/s1
InChIKeyANCVHDRNDJRUOT-DJEJFTSGSA-N
Species of MetaboliteComponentSourceComments
Sinocalamus affinis (IPNI:421970-1) stem (BTO:0001300) PubMed (21469695) 95% Ethanolic extract of skin-removed, air-dried, powdered stems.
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'S,8S,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one (CHEBI:67628) has role plant metabolite (CHEBI:76924)
(−)-(7'S,8S,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one (CHEBI:67628) is a aromatic ketone (CHEBI:76224)
(−)-(7'S,8S,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one (CHEBI:67628) is a dimethoxybenzene (CHEBI:51681)
(−)-(7'S,8S,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one (CHEBI:67628) is a lignan (CHEBI:25036)
(−)-(7'S,8S,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one (CHEBI:67628) is a polyphenol (CHEBI:26195)
(−)-(7'S,8S,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one (CHEBI:67628) is a primary alcohol (CHEBI:15734)
IUPAC Name 
(4-hydroxy-3,5-dimethoxyphenyl)[(3S,4R,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)tetrahydrofuran-3-yl]methanone
Registry NumbersSources
Reaxys:21559775Reaxys
Citations