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CHEBI:67382 - pterolinus B

ChEBI IDCHEBI:67382
ChEBI Namepterolinus B
Stars
DefinitionA member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 5, a methoxy group at position 6, a methyl group at position 3 and a 4-hydroxyphenyl group at position 2. Isolated from Pterocarpus santalinus, it exhibits anti-inflammatory activity.
Last Modified5 November 2013
DownloadsMolfile
FormulaC16H14O4
Net Charge0
Average Mass270.284
Monoisotopic Mass270.08921
SMILESCOc1cc2oc(-c3ccc(O)cc3)c(C)c2cc1O
InChIInChI=1S/C16H14O4/c1-9-12-7-13(18)15(19-2)8-14(12)20-16(9)10-3-5-11(17)6-4-10/h3-8,17-18H,1-2H3
InChIKeyCQFHUONRLJIEPG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pterocarpus santalinus (ncbitaxon:1071199) heartwood (PO:0004512) PubMed (21488654) Dichloromethane soluble portion of MeOH extract of powdered heartwood
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
pterolinus B (CHEBI:67382) has role anti-inflammatory agent (CHEBI:67079)
pterolinus B (CHEBI:67382) has role metabolite (CHEBI:25212)
pterolinus B (CHEBI:67382) has role plant metabolite (CHEBI:76924)
pterolinus B (CHEBI:67382) is a 1-benzofurans (CHEBI:38830)
pterolinus B (CHEBI:67382) is a aromatic ether (CHEBI:35618)
pterolinus B (CHEBI:67382) is a polyphenol (CHEBI:26195)
IUPAC Name 
2-(4-hydroxyphenyl)-6-methoxy-3-methyl-1-benzofuran-5-ol
Registry NumbersSources
Reaxys:21548608Reaxys
CAS:1297315-12-8Reaxys
Citations