(+)-(8S,8'R)-4-hydroxy-3,3',4',5'-tetramethoxylignan (CHEBI:68162)

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ChEBI Name	(+)-(8S,8'R)-4-hydroxy-3,3',4',5'-tetramethoxylignan

ChEBI ID	CHEBI:68162

ChEBI ASCII Name	(+)-(8S,8'R)-4-hydroxy-3,3',4',5'-tetramethoxylignan

Definition	A lignan that is 2,3-diemthylbutane substituted by a 3,4,5-trimethoxyphenyl group at position 1 and a 4-hydroxy-3-methoxyphenyl 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

Download	Molfile XML SDF

Formula

C22H30O5

Net Charge

Average Mass

374.47060

Monoisotopic Mass

374.20932

InChI

InChI=1S/C22H30O5/c1-14(9-16-7-8-18(23)19(11-16)24-3)15(2)10-17-12-20(25-4)22(27-6)21(13-17)26-5/h7-8,11-15,23H,9-10H2,1-6H3/t14-,15+/m0/s1

InChIKey

HDQFIVFINXJTNV-LSDHHAIUSA-N

SMILES

COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(OC)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.

ChEBI Ontology
Outgoing	(+)-(8S,8'R)-4-hydroxy-3,3',4',5'-tetramethoxylignan (CHEBI:68162) has role plant metabolite (CHEBI:76924) (+)-(8S,8'R)-4-hydroxy-3,3',4',5'-tetramethoxylignan (CHEBI:68162) is a lignan (CHEBI:25036) (+)-(8S,8'R)-4-hydroxy-3,3',4',5'-tetramethoxylignan (CHEBI:68162) is a methoxybenzenes (CHEBI:51683) (+)-(8S,8'R)-4-hydroxy-3,3',4',5'-tetramethoxylignan (CHEBI:68162) is a phenols (CHEBI:33853)

IUPAC Name

4-[(2S,3R)-2,3-dimethyl-4-(3,4,5-trimethoxyphenyl)butyl]-2-methoxyphenol

Registry Number	Type	Source
21646971	Reaxys Registry Number	Reaxys

Citation	Type	Source
21627109	PubMed citation	Europe PMC

Last Modified

20 March 2015