EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68171 - (+)-(8R,8'R)-3',4,4'-trihydroxy-3-methoxylignan

ChEBI IDCHEBI:68171
ChEBI Name(+)-(8R,8'R)-3',4,4'-trihydroxy-3-methoxylignan
Stars
DefinitionA natural product found in Machilus robusta.
Last Modified22 September 2014
DownloadsMolfile
FormulaC19H24O4
Net Charge0
Average Mass316.397
Monoisotopic Mass316.16746
SMILESCOc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(O)c2)ccc1O
InChIInChI=1S/C19H24O4/c1-12(8-14-4-6-16(20)18(22)10-14)13(2)9-15-5-7-17(21)19(11-15)23-3/h4-7,10-13,20-22H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyQKHJBWUGXMKHAK-CHWSQXEVSA-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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(+)-(8R,8'R)-3',4,4'-trihydroxy-3-methoxylignan (CHEBI:68171) has role metabolite (CHEBI:25212)
(+)-(8R,8'R)-3',4,4'-trihydroxy-3-methoxylignan (CHEBI:68171) is a lignan (CHEBI:25036)
Synonym  Source
4-[(2R,3R)-4-(4-Hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-1,2-benzenediolChEBI
Citations