19-(2-furyl)nonadeca-5,7-diynoic acid (CHEBI:65935)

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CHEBI:65935 - 19-(2-furyl)nonadeca-5,7-diynoic acid

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ChEBI ID	CHEBI:65935
ChEBI Name	19-(2-furyl)nonadeca-5,7-diynoic acid
Stars
Definition	An acetylenic fatty acid that is nonadeca-5,7-diynoic acid substituted by a furan-2-yl group at position 19. Isolated from Polyalthia evecta, it exhibits anti-HSV-1 and antiplasmodial activity.
Last Modified	2 August 2013
Downloads	Molfile

Formula	C23H32O3
Net Charge	0
Average Mass	356.506
Monoisotopic Mass	356.23514
SMILES	O=C(O)CCCC#CC#CCCCCCCCCCCCc1ccco1
InChI	InChI=1S/C23H32O3/c24-23(25)20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-22-19-17-21-26-22/h17,19,21H,1-5,7,9,11,13-16,18,20H2,(H,24,25)
InChIKey	AZDANMRNWNLXOP-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Polyalthia evecta (IPNI:74568-1)	root (BTO:0001188)	PubMed (16441071)

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. anti-HSV-1 agent An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-1. antiplasmodial drug An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
Application:	antiplasmodial drug An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.

ChEBI Ontology

Outgoing Relation(s)
	19-(2-furyl)nonadeca-5,7-diynoic acid (CHEBI:65935) has role anti-HSV-1 agent (CHEBI:64953)
	19-(2-furyl)nonadeca-5,7-diynoic acid (CHEBI:65935) has role antiplasmodial drug (CHEBI:64915)
	19-(2-furyl)nonadeca-5,7-diynoic acid (CHEBI:65935) has role metabolite (CHEBI:25212)
	19-(2-furyl)nonadeca-5,7-diynoic acid (CHEBI:65935) is a acetylenic fatty acid (CHEBI:25380)
	19-(2-furyl)nonadeca-5,7-diynoic acid (CHEBI:65935) is a furans (CHEBI:24129)

IUPAC Name
19-(furan-2-yl)nonadeca-5,7-diynoic acid

Manual Xrefs	Databases
9668964	ChemSpider

Registry Numbers	Sources
Reaxys:18586861	Reaxys

Citations