CHEBI:68160 - (+)-(8S,8'R)-3',4,4'-trihydroxy-5,5'-dimethoxylignan

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ChEBI Name (+)-(8S,8'R)-3',4,4'-trihydroxy-5,5'-dimethoxylignan
ChEBI ASCII Name (+)-(8S,8'R)-3',4,4'-trihydroxy-5,5'-dimethoxylignan
Definition A lignan that is 2,3-dimethylbutane substituted by a 4-hydroxy-3-methoxyphenyl group a position 4 and a 3,4-dihydroxy-5-methoxyphenyl group at position 1. 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 C20H26O5
Net Charge 0
Average Mass 346.41740
Monoisotopic Mass 346.17802
InChI InChI=1S/C20H26O5/c1-12(7-14-5-6-16(21)18(10-14)24-3)13(2)8-15-9-17(22)20(23)19(11-15)25-4/h5-6,9-13,21-23H,7-8H2,1-4H3/t12-,13+/m0/s1
SMILES COc1cc(C[C@H](C)[C@H](C)Cc2cc(O)c(O)c(OC)c2)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.
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ChEBI Ontology
Outgoing (+)-(8S,8'R)-3',4,4'-trihydroxy-5,5'-dimethoxylignan (CHEBI:68160) has role plant metabolite (CHEBI:76924)
(+)-(8S,8'R)-3',4,4'-trihydroxy-5,5'-dimethoxylignan (CHEBI:68160) is a catechols (CHEBI:33566)
(+)-(8S,8'R)-3',4,4'-trihydroxy-5,5'-dimethoxylignan (CHEBI:68160) is a guaiacols (CHEBI:134251)
(+)-(8S,8'R)-3',4,4'-trihydroxy-5,5'-dimethoxylignan (CHEBI:68160) is a lignan (CHEBI:25036)
Registry Number Type Source
21646974 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21627109 PubMed citation Europe PMC
Last Modified
07 April 2017