CHEBI:145817 - neophytadiene

ChEBI IDCHEBI:145817
ChEBI Nameneophytadiene
Stars
DefinitionA diterpene that is 3-methylidenehexadec-1-ene substituted at positions 7, 11 and 15 by a methyl group.
Last Modified20 February 2020
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DownloadsMolfile
FormulaC20H38
Net Charge0
Average Mass278.524
Monoisotopic Mass278.29735
SMILESC=CC(=C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3
InChIKeyNIDGCIPAMWNKOA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Jatropha curcas (ncbitaxon:180498) leaf (BTO:0000713) PubMed (30549905)
Mentha pulegium (ncbitaxon:294739) leaf (BTO:0000713) PubMed (29261270)
Alhagi canescens (IPNI:473467-1) aerial part (BTO:0001658) PubMed (29770713)
Tagetes erecta (ncbitaxon:13708) leaf (BTO:0000713) DOI (/10.1016/j.indcrop.2018.10.013)
Turbinaria ornata (ncbitaxon:86657) - PubMed (31981060)
Ulva lactuca (ncbitaxon:63410) - PubMed (31678034)
Centaurium erythraea (ncbitaxon:172057) aerial part (BTO:0001658) PubMed (22349896)
Pimpinella anisum (ncbitaxon:271192) fruit (BTO:0000486) DOI (/10.1007/BF01959777)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
neophytadiene (CHEBI:145817) has role algal metabolite (CHEBI:84735)
neophytadiene (CHEBI:145817) has role anti-inflammatory agent (CHEBI:67079)
neophytadiene (CHEBI:145817) has role antimicrobial agent (CHEBI:33281)
neophytadiene (CHEBI:145817) has role plant metabolite (CHEBI:76924)
neophytadiene (CHEBI:145817) is a alkene (CHEBI:32878)
neophytadiene (CHEBI:145817) is a diterpene (CHEBI:35190)
IUPAC Name 
7,11,15-trimethyl-3-methylidenehexadec-1-ene
Synonyms  Source
3-methylene-7,11,15-trimethyl-1-hexadeceneChEBI
7,11,15-trimethyl-3-methylene-1-hexadeceneChemIDplus
2-(4,8,12-trimethyltridecyl)-1,3-butadieneChemIDplus
2-(4,8,12-trimethyltridecyl)buta-1,3-dieneChemIDplus
3-methylene-7,11,15-trimethylhexadec-1-eneChEBI
Manual XrefsDatabases
FDB003861FooDB
Registry NumbersSources
CAS:504-96-1ChemIDplus
CAS:504-96-1NIST Chemistry WebBook
Citations