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CHEBI:69522 - 2-methoxy-1,4-naphthoquinone

Default Structure
ChEBI IDCHEBI:69522
ChEBI Name2-methoxy-1,4-naphthoquinone
Stars
DefinitionA naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis.
Last Modified7 June 2016
DownloadsMolfile
FormulaC11H8O3
Net Charge0
Average Mass188.182
Monoisotopic Mass188.04734
SMILESCOC1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3
InChIKeyOBGBGHKYJAOXRR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rubia yunnanensis (IPNI:765385-1) root (BTO:0001188) PubMed (21973054) Methanolic extract of air dried powdered roots.
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
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)
2-methoxy-1,4-naphthoquinone (CHEBI:69522) has role antimicrobial agent (CHEBI:33281)
2-methoxy-1,4-naphthoquinone (CHEBI:69522) has role metabolite (CHEBI:25212)
2-methoxy-1,4-naphthoquinone (CHEBI:69522) has role plant metabolite (CHEBI:76924)
2-methoxy-1,4-naphthoquinone (CHEBI:69522) is a 1,4-naphthoquinones (CHEBI:132142)
2-methoxy-1,4-naphthoquinone (CHEBI:69522) is a enol ether (CHEBI:47985)
IUPAC Name 
2-methoxynaphthalene-1,4-dione
Synonym  Source
2-Methoxy-p-naphthoquinoneChemIDplus
Registry NumbersSources
Reaxys:2046314Reaxys
CAS:2348-82-5ChemIDplus
Citations