CHEBI:68170 - (−)-(8R,8'S)-3,3',4-trimethoxy-4'-hydroxylignan

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ChEBI Name (−)-(8R,8'S)-3,3',4-trimethoxy-4'-hydroxylignan
ChEBI ASCII Name (-)-(8R,8'S)-3,3',4-trimethoxy-4'-hydroxylignan
Definition A lignan that is 2,3-dimethylbutane substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 3,4-dimethoxyphenyl group at position 4. 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 C21H28O4
Net Charge 0
Average Mass 344.44460
Monoisotopic Mass 344.19876
InChI InChI=1S/C21H28O4/c1-14(10-16-6-8-18(22)20(12-16)24-4)15(2)11-17-7-9-19(23-3)21(13-17)25-5/h6-9,12-15,22H,10-11H2,1-5H3/t14-,15+/m0/s1
SMILES COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(OC)c2)cc1OC
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.
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ChEBI Ontology
Outgoing (−)-(8R,8'S)-3,3',4-trimethoxy-4'-hydroxylignan (CHEBI:68170) has role plant metabolite (CHEBI:76924)
(−)-(8R,8'S)-3,3',4-trimethoxy-4'-hydroxylignan (CHEBI:68170) is a guaiacols (CHEBI:134251)
(−)-(8R,8'S)-3,3',4-trimethoxy-4'-hydroxylignan (CHEBI:68170) is a lignan (CHEBI:25036)
Registry Number Type Source
7384710 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21627109 PubMed citation Europe PMC
Last Modified
07 April 2017