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CHEBI:68165 - (+)-(8S,8'R)-4,4'-dihydroxy-3-methoxylignan

ChEBI IDCHEBI:68165
ChEBI Name(+)-(8S,8'R)-4,4'-dihydroxy-3-methoxylignan
Stars
ASCII Name(+)-(8S,8'R)-4,4'-dihydroxy-3-methoxylignan
DefinitionA lignan that is 2,3-dimethylbutane substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 4 respectively. It has been isolated from the bark of Machilus robusta.
Last Modified7 April 2017
DownloadsMolfile
FormulaC19H24O3
Net Charge0
Average Mass300.398
Monoisotopic Mass300.17254
SMILESCOc1cc(C[C@H](C)[C@H](C)Cc2ccc(O)cc2)ccc1O
InChIInChI=1S/C19H24O3/c1-13(10-15-4-7-17(20)8-5-15)14(2)11-16-6-9-18(21)19(12-16)22-3/h4-9,12-14,20-21H,10-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyJXMPPMXQQGPEPV-KGLIPLIRSA-N
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)
(+)-(8S,8'R)-4,4'-dihydroxy-3-methoxylignan (CHEBI:68165) has role plant metabolite (CHEBI:76924)
(+)-(8S,8'R)-4,4'-dihydroxy-3-methoxylignan (CHEBI:68165) is a guaiacols (CHEBI:134251)
(+)-(8S,8'R)-4,4'-dihydroxy-3-methoxylignan (CHEBI:68165) is a lignan (CHEBI:25036)
IUPAC Name 
4-[(2S,3R)-4-(4-hydroxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
Registry NumbersSources
Reaxys:21646970Reaxys
Citations