EMBL-EBI | Chemical Biology | ChEBI

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

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

ChEBI IDCHEBI:70419
ChEBI Name4-hydroxy-5-propionyl-1,3-di-O-methylpyrogallol
Stars
DefinitionAn 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.
Last Modified1 June 2015
DownloadsMolfile
FormulaC11H14O5
Net Charge0
Average Mass226.228
Monoisotopic Mass226.08412
SMILESCCC(=O)c1cc(OC)c(O)c(OC)c1O
InChIInChI=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
InChIKeyDMZJXYVZVWKSFA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Garcia parviflora (IPNI:107401-2)
leaf (BTO:0000713) PubMed (20958014) EtOAc extract of air-dried, powdered branch and leaves
branch (BTO:0000148) PubMed (20958014) EtOAc extract of air-dried, powdered branch and leaves
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.
ChEBI Ontology
Outgoing Relation(s)
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-oneChEBI
Registry NumbersSources
Reaxys:6725517Reaxys
Citations