EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:67381 - pterolinus A

ChEBI IDCHEBI:67381
ChEBI Namepterolinus A
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 3-hydroxy-4-methoxyphenyl group at position 3 and a methyl group at position 2. Isolated from Pterocarpus santalinus, it exhibits anti-inflammatory activity.
Last Modified9 January 2014
DownloadsMolfile
FormulaC17H16O5
Net Charge0
Average Mass300.310
Monoisotopic Mass300.09977
SMILESCOc1ccc(-c2c(C)oc3cc(OC)c(O)cc23)cc1O
InChIInChI=1S/C17H16O5/c1-9-17(10-4-5-14(20-2)12(18)6-10)11-7-13(19)16(21-3)8-15(11)22-9/h4-8,18-19H,1-3H3
InChIKeyZQLLSZOQHBGUJG-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 Role:
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 A (CHEBI:67381) has role anti-inflammatory agent (CHEBI:67079)
pterolinus A (CHEBI:67381) has role plant metabolite (CHEBI:76924)
pterolinus A (CHEBI:67381) is a 1-benzofurans (CHEBI:38830)
pterolinus A (CHEBI:67381) is a aromatic ether (CHEBI:35618)
pterolinus A (CHEBI:67381) is a polyphenol (CHEBI:26195)
IUPAC Name 
3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-2-methyl-1-benzofuran-5-ol
Registry NumbersSources
Reaxys:21548611Reaxys
Citations