neophytadiene (CHEBI:145817)

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ChEBI Name	neophytadiene

ChEBI ID	CHEBI:145817

Definition	A diterpene that is 3-methylidenehexadec-1-ene substituted at positions 7, 11 and 15 by a methyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C20H38

Net Charge

Average Mass

278.524

Monoisotopic Mass

278.29735

InChI

InChI=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

InChIKey

NIDGCIPAMWNKOA-UHFFFAOYSA-N

SMILES

C(CCCC(CCCC(C=C)=C)C)(CCCC(C)C)C

Metabolite of Species	Details
Alhagi canescens (IPNI:473467-1)	Found in aerial part (BTO:0001658). See: PubMed
Tagetes erecta (NCBI:txid13708)	Found in leaf (BTO:0000713). See: DOI
Centaurium erythraea (NCBI:txid172057)	Found in aerial part (BTO:0001658). See: PubMed
Jatropha curcas (NCBI:txid180498)	Found in leaf (BTO:0000713). See: PubMed
Pimpinella anisum (NCBI:txid271192)	Found in fruit (BTO:0000486). See: DOI
Mentha pulegium (NCBI:txid294739)	Found in leaf (BTO:0000713). See: PubMed
Ulva lactuca (NCBI:txid63410)	See: PubMed
Turbinaria ornata (NCBI:txid86657)	See: PubMed

Roles Classification
Biological Role(s):	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. 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(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	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	Sources
2-(4,8,12-trimethyltridecyl)-1,3-butadiene	ChemIDplus
2-(4,8,12-trimethyltridecyl)buta-1,3-diene	ChemIDplus
3-methylene-7,11,15-trimethyl-1-hexadecene	ChEBI
3-methylene-7,11,15-trimethylhexadec-1-ene	ChEBI
7,11,15-trimethyl-3-methylene-1-hexadecene	ChemIDplus

Last Modified

20 February 2020