pterolinus A (CHEBI:67381)

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ChEBI Name	pterolinus A

ChEBI ID	CHEBI:67381

Definition	A 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C17H16O5

Net Charge

Average Mass

300.30590

Monoisotopic Mass

300.09977

InChI

InChI=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

InChIKey

ZQLLSZOQHBGUJG-UHFFFAOYSA-N

SMILES

COc1ccc(cc1O)-c1c(C)oc2cc(OC)c(O)cc12

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):	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 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 Number	Type	Source
21548611	Reaxys Registry Number	Reaxys

Citation	Type	Source
21488654	PubMed citation	Europe PMC

Last Modified

09 January 2014