4-hydroxy-5-propionyl-1,3-di-O-methylpyrogallol (CHEBI:70419)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	4-hydroxy-5-propionyl-1,3-di-O-methylpyrogallol

ChEBI ID	CHEBI:70419

Definition	An aromatic ketone that is propan-1-one substituted by a 2,4-dihydroxy-3,5-dimethoxyphenyl group at position 1. It has been isolated from the leaves of Garcia parviflora.

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

Supplier Information

Download	Molfile XML SDF

Formula

C11H14O5

Net Charge

Average Mass

226.22590

Monoisotopic Mass

226.08412

InChI

InChI=1S/C11H14O5/c1-4-7(12)6-5-8(15-2)10(14)11(16-3)9(6)13/h5,13-14H,4H2,1-3H3

InChIKey

DMZJXYVZVWKSFA-UHFFFAOYSA-N

SMILES

CCC(=O)c1cc(OC)c(O)c(OC)c1O

Metabolite of Species	Details
Garcia parviflora (IPNI:107401-2)	Found in leaf (BTO:0000713). EtOAc extract of air-dried, powdered branch and leaves See: PubMed
Garcia parviflora (IPNI:107401-2)	Found in branch (BTO:0000148). EtOAc extract of air-dried, powdered branch and leaves 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.

ChEBI Ontology
Outgoing	4-hydroxy-5-propionyl-1,3-di-O-methylpyrogallol (CHEBI:70419) has role plant metabolite (CHEBI:76924) 4-hydroxy-5-propionyl-1,3-di-O-methylpyrogallol (CHEBI:70419) is a aromatic ketone (CHEBI:76224) 4-hydroxy-5-propionyl-1,3-di-O-methylpyrogallol (CHEBI:70419) is a dimethoxybenzene (CHEBI:51681) 4-hydroxy-5-propionyl-1,3-di-O-methylpyrogallol (CHEBI:70419) is a resorcinols (CHEBI:33572)

Synonym	Source
1-(2,4-dihydroxy-3,5-dimethoxyphenyl)propan-1-one	ChEBI

Registry Number	Type	Source
6725517	Reaxys Registry Number	Reaxys

Citation	Type	Source
20958014	PubMed citation	Europe PMC

Last Modified

01 June 2015