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

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ChEBI Name (+)-(8S,8'R)-4,4'-dihydroxy-3-methoxylignan
ChEBI ID CHEBI:68165
ChEBI ASCII Name (+)-(8S,8'R)-4,4'-dihydroxy-3-methoxylignan
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H24O3
Net Charge 0
Average Mass 300.39210
Monoisotopic Mass 300.17254
InChI InChI=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
InChIKey JXMPPMXQQGPEPV-KGLIPLIRSA-N
SMILES COc1cc(C[C@H](C)[C@H](C)Cc2ccc(O)cc2)ccc1O
Metabolite of Species Details
Machilus robusta (NCBI:txid460780) Found in bark (BTO:0001301). 95%aqueous EtOH extract of air-dried bark See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-(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 Number Type Source
21646970 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21627109 PubMed citation Europe PMC
Last Modified
07 April 2017