CHEBI:66709 - methyl 3,4-dihydroxy-5-(3'-methyl-2'-butenyl)benzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl 3,4-dihydroxy-5-(3'-methyl-2'-butenyl)benzoate
ChEBI ID CHEBI:66709
Definition A benzoate ester that is methyl benzoate substituted by hydroxy groups at positions 3 and 4 and a prenyl group at position 5. Isolated from Piper glabratum and Piper acutifolium, it exhibits antileishmanial activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C13H16O4
Net Charge 0
Average Mass 236.26370
Monoisotopic Mass 236.10486
InChI InChI=1S/C13H16O4/c1-8(2)4-5-9-6-10(13(16)17-3)7-11(14)12(9)15/h4,6-7,14-15H,5H2,1-3H3
InChIKey ZVMALUVLYJRPEZ-UHFFFAOYSA-N
SMILES COC(=O)c1cc(O)c(O)c(CC=C(C)C)c1
Metabolite of Species Details
Piper acutifolium (IPNI:680276-1) Found in leaf (BTO:0000713). See: PubMed
Piper glabratum (NCBI:txid405326) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antileishmanial agent
An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
Application(s): antileishmanial agent
An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methyl 3,4-dihydroxy-5-(3'-methyl-2'-butenyl)benzoate (CHEBI:66709) has role antileishmanial agent (CHEBI:70868)
methyl 3,4-dihydroxy-5-(3'-methyl-2'-butenyl)benzoate (CHEBI:66709) has role metabolite (CHEBI:25212)
methyl 3,4-dihydroxy-5-(3'-methyl-2'-butenyl)benzoate (CHEBI:66709) is a benzoate ester (CHEBI:36054)
methyl 3,4-dihydroxy-5-(3'-methyl-2'-butenyl)benzoate (CHEBI:66709) is a catechols (CHEBI:33566)
methyl 3,4-dihydroxy-5-(3'-methyl-2'-butenyl)benzoate (CHEBI:66709) is a methyl ester (CHEBI:25248)
IUPAC Name
methyl 3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)benzoate
Registry Number Type Source
19220845 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18712933 PubMed citation Europe PMC
Last Modified
13 April 2015