CHEBI:9699 - tridec-1-ene-3,5,7,9,11-pentayne

ChEBI IDCHEBI:9699
ChEBI Nametridec-1-ene-3,5,7,9,11-pentayne
Stars
DefinitionA pentayne that is tridecane which carries a double bond at position 1 and triple bonds at positions 3,5,7,9 and 11. It is a natural product which exhibits ovicidal and nematicidal activities.
Last Modified19 February 2021
DownloadsMolfile
FormulaC13H6
Net Charge0
Average Mass162.191
Monoisotopic Mass162.04695
SMILESC=CC#CC#CC#CC#CC#CC
InChIInChI=1S/C13H6/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1H2,2H3
InChIKeyKKBHBCOJHHCOCL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Echinacea purpurea (ncbitaxon:53751) root (BTO:0001188) PubMed (26009695)
Ricinus communis (ncbitaxon:3988) - PubMed (14252071)
Bidens pilosa (ncbitaxon:42337) - PubMed (32226639)
Blumea lacera (ncbitaxon:441183) - Article (Book: Encyclopedia of Traditional Chinese Medicines - Molecular Structures, Pharmacological Activities, Natural Sources and Applications: Vol. 5, Springer Science & Business Media, 2011.)
Xanthium canadense (ncbitaxon:552636) root (BTO:0001188) DOI (10.1080/00021369.1977.10862762)
Cirsium palustre (ncbitaxon:143190) - PubMed (22474978) Present in trace amounts.
Cirsium japonicum (ncbitaxon:516546) root (BTO:0001188) DOI (10.1080/00021369.1980.10864048)
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
ovicide  Any insecticide that is capable of killing egg cells.
nematicide  A substance used to destroy pests of the phylum Nematoda (roundworms).
ChEBI Ontology
Outgoing Relation(s)
tridec-1-ene-3,5,7,9,11-pentayne (CHEBI:9699) has role antifungal agent (CHEBI:35718)
tridec-1-ene-3,5,7,9,11-pentayne (CHEBI:9699) has role nematicide (CHEBI:25491)
tridec-1-ene-3,5,7,9,11-pentayne (CHEBI:9699) has role ovicide (CHEBI:167523)
tridec-1-ene-3,5,7,9,11-pentayne (CHEBI:9699) has role plant metabolite (CHEBI:76924)
tridec-1-ene-3,5,7,9,11-pentayne (CHEBI:9699) has role volatile oil component (CHEBI:27311)
tridec-1-ene-3,5,7,9,11-pentayne (CHEBI:9699) is a acyclic acetylene (CHEBI:33650)
tridec-1-ene-3,5,7,9,11-pentayne (CHEBI:9699) is a acyclic olefin (CHEBI:33645)
tridec-1-ene-3,5,7,9,11-pentayne (CHEBI:9699) is a enyne (CHEBI:59831)
tridec-1-ene-3,5,7,9,11-pentayne (CHEBI:9699) is a pentayne (CHEBI:167522)
IUPAC Name 
tridec-1-ene-3,5,7,9,11-pentayne
Synonyms  Source
1-tridecene-3,5,7,9,11-pentayneChemIDplus
1-tridecene-3,5,7,9,11-pentyneHMDB
1-tridecen-3,5,7,9,11-pentayneChEBI
Manual XrefsDatabases
C08464KEGG COMPOUND
C00001298KNApSAcK
HMDB0035400HMDB
FDB014075FooDB
390227ChemSpider
Registry NumbersSources
CAS:2060-59-5ChemIDplus
Citations