EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:8413 - primin

ChEBI IDCHEBI:8413
ChEBI Nameprimin
Stars
DefinitionA 1,4-benzoquinone having a methoxy substituent at the 2-position and a pentyl substituent at the 6-position.
Last Modified12 March 2019
DownloadsMolfile
FormulaC12H16O3
Net Charge0
Average Mass208.257
Monoisotopic Mass208.10994
SMILESCCCCCC1=CC(=O)C=C(OC)C1=O
InChIInChI=1S/C12H16O3/c1-3-4-5-6-9-7-10(13)8-11(15-2)12(9)14/h7-8H,3-6H2,1-2H3
InChIKeyWLWIMKWZMGJRBS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Botryosphaeria mamane (ncbitaxon:144557) - PubMed (17827773) Endophytic fungus Strain: PSU M76
Miconia eriodonta (IPNI:159047-2) - DOI (10.1021/np50069a029)
Miconia lepidota (ncbitaxon:477087) - PubMed (11170656)
Primula obconica (ncbitaxon:170924) - Article (BEIBLATT VIERTELJAHR NATURFORSCH GES ZURICH,1927,13,1)
Miconia (ncbitaxon:263288) - PubMed (11170656)
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
Application:
antifeedant  A substance that prevents pests from feeding.
ChEBI Ontology
Outgoing Relation(s)
primin (CHEBI:8413) has role allergen (CHEBI:50904)
primin (CHEBI:8413) has role antifeedant (CHEBI:22583)
primin (CHEBI:8413) has role antimicrobial agent (CHEBI:33281)
primin (CHEBI:8413) has role hapten (CHEBI:59174)
primin (CHEBI:8413) has role metabolite (CHEBI:25212)
primin (CHEBI:8413) is a 1,4-benzoquinones (CHEBI:132124)
IUPAC Name 
2-methoxy-6-pentyl-1,4-benzoquinone
Synonyms  Source
PriminKEGG COMPOUND
2-methoxy-6-n-pentyl-p-benzoquinoneChemIDplus
2-methoxy-6-pentyl-2,5-cyclohexadiene-1,4-dioneChemIDplus
2-methoxy-6-n-pentyl-1,4-benzoquinoneChEBI
2-methoxy-6-pentylcyclohexa-2,5-diene-1,4-dioneIUPAC
Manual XrefsDatabases
C10390KEGG COMPOUND
C00002854KNApSAcK
Registry NumbersSources
Reaxys:1961495Reaxys
CAS:15121-94-5KEGG COMPOUND
CAS:15121-94-5ChemIDplus
Citations