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CHEBI:69254 - rataniaphenol I

ChEBI IDCHEBI:69254
ChEBI Namerataniaphenol I
Stars
DefinitionA member of the class of benzofurans that is 1-benzofuran substituted by a 2-hydroxy-4-methoxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.
Last Modified13 April 2015
DownloadsMolfile
FormulaC18H16O3
Net Charge0
Average Mass280.323
Monoisotopic Mass280.10994
SMILESC/C=C/c1ccc2oc(-c3ccc(OC)cc3O)cc2c1
InChIInChI=1S/C18H16O3/c1-3-4-12-5-8-17-13(9-12)10-18(21-17)15-7-6-14(20-2)11-16(15)19/h3-11,19H,1-2H3/b4-3+
InChIKeyVSRAHYZSNLDBKG-ONEGZZNKSA-N
Species of MetaboliteComponentSourceComments
Krameria lappacea (ncbitaxon:228636) root (BTO:0001188) PubMed (21800856) Methylene dichloride extract of dried and ground roots
Roles Classification
Biological Roles:
cyclooxygenase 1 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1.
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
NF-kappaB inhibitor  An inhibitor of NF-κB (nuclear factor κ-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
rataniaphenol I (CHEBI:69254) has role anti-inflammatory agent (CHEBI:67079)
rataniaphenol I (CHEBI:69254) has role cyclooxygenase 1 inhibitor (CHEBI:50630)
rataniaphenol I (CHEBI:69254) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
rataniaphenol I (CHEBI:69254) has role NF-κB inhibitor (CHEBI:73240)
rataniaphenol I (CHEBI:69254) has role plant metabolite (CHEBI:76924)
rataniaphenol I (CHEBI:69254) is a benzofurans (CHEBI:35259)
rataniaphenol I (CHEBI:69254) is a monomethoxybenzene (CHEBI:25235)
rataniaphenol I (CHEBI:69254) is a phenols (CHEBI:33853)
IUPAC Name 
5-methoxy-2-{5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}phenol
Synonym  Source
2-(2-hydroxy-4-methoxyphenyl)-5-(E)-propenylbenzofuranChEBI
Registry NumbersSources
Reaxys:4196075Reaxys
Citations