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CHEBI:67382 - pterolinus B

Default Structure
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:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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