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CHEBI:31111 - 3-dimethylallyl-4-hydroxybenzoic acid

ChEBI IDCHEBI:31111
ChEBI Name3-dimethylallyl-4-hydroxybenzoic acid
Stars
DefinitionA monohydroxybenzoic acid that is 4-hydroxybenzoic acid bearing an additional dimethylallyl substituent at position 3.
Secondary ChEBI IDCHEBI:69544
Last Modified13 January 2014
DownloadsMolfile
FormulaC12H14O3
Net Charge0
Average Mass206.241
Monoisotopic Mass206.09429
SMILESCC(C)=CCc1cc(C(=O)O)ccc1O
InChIInChI=1S/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15)
InChIKeyLBSJJNAMGVDGCU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rubia yunnanensis (IPNI:765385-1) root (BTO:0001188) PubMed (21973054) Methanolic extract of air dried powdered roots.
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
3-dimethylallyl-4-hydroxybenzoic acid (CHEBI:31111) has role plant metabolite (CHEBI:76924)
3-dimethylallyl-4-hydroxybenzoic acid (CHEBI:31111) is a monohydroxybenzoic acid (CHEBI:25389)
3-dimethylallyl-4-hydroxybenzoic acid (CHEBI:31111) is conjugate acid of 3-dimethylallyl-4-hydroxybenzoate (CHEBI:74155)
Incoming Relation(s)
3-dimethylallyl-4-hydroxybenzoate (CHEBI:74155) is conjugate base of 3-dimethylallyl-4-hydroxybenzoic acid (CHEBI:31111)
IUPAC Name 
4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid
Synonym  Source
4-hydroxy-3-prenylbenzoic acidChEBI
Manual XrefsDatabases
C12458KEGG COMPOUND
WO2009098287Patent
Registry NumbersSources
Reaxys:2644226Reaxys
Citations