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
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.)
Cirsium japonicum (ncbitaxon:516546) root (BTO:0001188) DOI (10.1080/00021369.1980.10864048)
Cirsium palustre (ncbitaxon:143190) - PubMed (22474978) Present in trace amounts.
Echinacea purpurea (ncbitaxon:53751) root (BTO:0001188) PubMed (26009695)
Ricinus communis (ncbitaxon:3988) - PubMed (14252071)
Xanthium canadense (ncbitaxon:552636) root (BTO:0001188) DOI (10.1080/00021369.1977.10862762)
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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-tridecen-3,5,7,9,11-pentayneChEBI
1-tridecene-3,5,7,9,11-pentayneChemIDplus
1-tridecene-3,5,7,9,11-pentyneHMDB
Manual XrefsDatabases
390227ChemSpider
C00001298KNApSAcK
C08464KEGG COMPOUND
FDB014075FooDB
HMDB0035400HMDB
Registry NumbersSources
CAS:2060-59-5ChemIDplus
Citations