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CHEBI:67384 - pterolinus D

ChEBI IDCHEBI:67384
ChEBI Namepterolinus D
Stars
DefinitionAn epoxide that is 7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione substituted by a methoxy group at position 4 and a propan-2-yl group at position 1 which in turn is substituted by a hydroxy group and a 3-hydroxy-4-methoxyphenyl group at position 1. Isolated from Pterocarpus santalinus, it exhibits anti-inflammatory activity.
Last Modified5 November 2013
DownloadsMolfile
FormulaC17H18O7
Net Charge0
Average Mass334.324
Monoisotopic Mass334.10525
SMILESCOC1=CC(=O)C2(C(C)C(O)c3ccc(OC)c(O)c3)OC2C1=O
InChIInChI=1S/C17H18O7/c1-8(14(20)9-4-5-11(22-2)10(18)6-9)17-13(19)7-12(23-3)15(21)16(17)24-17/h4-8,14,16,18,20H,1-3H3
InChIKeyXGVFUXKEPNXXRI-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 D (CHEBI:67384) has role anti-inflammatory agent (CHEBI:67079)
pterolinus D (CHEBI:67384) has role metabolite (CHEBI:25212)
pterolinus D (CHEBI:67384) has role plant metabolite (CHEBI:76924)
pterolinus D (CHEBI:67384) is a aromatic ether (CHEBI:35618)
pterolinus D (CHEBI:67384) is a cyclic ketone (CHEBI:3992)
pterolinus D (CHEBI:67384) is a epoxide (CHEBI:32955)
pterolinus D (CHEBI:67384) is a phenols (CHEBI:33853)
pterolinus D (CHEBI:67384) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
1-[1-hydroxy-1-(3-hydroxy-4-methoxyphenyl)propan-2-yl]-4-methoxy-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Registry NumbersSources
Reaxys:21548615Reaxys
Citations