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

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	3-dimethylallyl-4-hydroxybenzoic acid

ChEBI ID	CHEBI:31111

Definition	A monohydroxybenzoic acid that is 4-hydroxybenzoic acid bearing an additional dimethylallyl substituent at position 3.

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

Secondary ChEBI IDs	CHEBI:69544

Supplier Information	eMolecules:10344509, ZINC000004654776

Download	Molfile XML SDF

more structures >>

Formula

C12H14O3

Net Charge

Average Mass

206.23780

Monoisotopic Mass

206.09429

InChI

InChI=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)

InChIKey

LBSJJNAMGVDGCU-UHFFFAOYSA-N

SMILES

CC(C)=CCc1cc(ccc1O)C(O)=O

Metabolite of Species	Details
Rubia yunnanensis (IPNI:765385-1)	Found in root (BTO:0001188). Methanolic extract of air dried powdered roots. See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

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	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	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 acid	ChEBI

Registry Number	Type	Source
2644226	Reaxys Registry Number	Reaxys

Last Modified

13 January 2014