pterolinus D (CHEBI:67384)

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ChEBI Name	pterolinus D

ChEBI ID	CHEBI:67384

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C17H18O7

Net Charge

Average Mass

334.32060

Monoisotopic Mass

334.10525

InChI

InChI=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

InChIKey

XGVFUXKEPNXXRI-UHFFFAOYSA-N

SMILES

COC1=CC(=O)C2(OC2C1=O)C(C)C(O)c1ccc(OC)c(O)c1

Metabolite of Species	Details
Pterocarpus santalinus (NCBI:txid1071199)	Found in heartwood (PO:0004512). Dichloromethane soluble portion of MeOH extract of powdered heartwood See: PubMed

Roles Classification
Biological Role(s):	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(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	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 Number	Type	Source
21548615	Reaxys Registry Number	Reaxys

Citation	Type	Source
21488654	PubMed citation	Europe PMC

Last Modified

05 November 2013