5-O-ethyl embelin (CHEBI:65843)

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ChEBI Name	5-O-ethyl embelin

ChEBI ID	CHEBI:65843

ChEBI ASCII Name	5-O-ethyl embelin

Definition	A member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a ethoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antineoplastic activity.

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

Supplier Information

Download	Molfile XML SDF

Formula

C19H30O4

Net Charge

Average Mass

322.43910

Monoisotopic Mass

322.21441

InChI

InChI=1S/C19H30O4/c1-3-5-6-7-8-9-10-11-12-13-15-18(21)16(20)14-17(19(15)22)23-4-2/h14,21H,3-13H2,1-2H3

InChIKey

BKAZNQWWINLHDW-UHFFFAOYSA-N

SMILES

CCCCCCCCCCCC1=C(O)C(=O)C=C(OCC)C1=O

Metabolite of Species	Details
Oxalis erythrorhiza (IPNI:177985-2)	See: PubMed
Embelia schimperi (IPNI:588468-1)	See: PubMed
Lysimachia punctata (NCBI:txid213289)	Found in root (BTO:0001188). Underground part of the plant See: PubMed
Embelia ribes (NCBI:txid459629)	Found in leaf (BTO:0000713). See: PubMed
Embelia ribes (NCBI:txid459629)	Found in fruit (BTO:0000486). See: PubMed
Aegiceras corniculatum (NCBI:txid59970)	Found in twig (BTO:0001411). See: PubMed
Aegiceras corniculatum (NCBI:txid59970)	Found in stem (BTO:0001300). See: PubMed
Myrsine africana (NCBI:txid59982)	Found in fruit (BTO:0000486). See: ELECTRON J FOOD PLANTS CHEM, 2007, 2, 20

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	5-O-ethyl embelin (CHEBI:65843) has functional parent embelin (CHEBI:4778) 5-O-ethyl embelin (CHEBI:65843) has role antineoplastic agent (CHEBI:35610) 5-O-ethyl embelin (CHEBI:65843) has role metabolite (CHEBI:25212) 5-O-ethyl embelin (CHEBI:65843) is a 1,4-benzoquinones (CHEBI:132124) 5-O-ethyl embelin (CHEBI:65843) is a enol ether (CHEBI:47985) 5-O-ethyl embelin (CHEBI:65843) is a monohydroxy-1,4-benzoquinones (CHEBI:67273)

IUPAC Name

5-ethoxy-2-hydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione

Synonym	Source
5-ethoxy-2-hydroxy-3-undecyl-1,4-benzoquinone	ChEBI

Registry Number	Type	Source
10027880	Reaxys Registry Number	Reaxys

Citation	Type	Source
16254827	PubMed citation	Europe PMC

Last Modified

02 June 2016

General Comment
2012-07-27	ELECTRON J FOOD PLANTS CHEM, 2007, 2, 20