docebenone (CHEBI:2340)

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ChEBI Name	docebenone

ChEBI ID	CHEBI:2340

Definition	A member of the class of benzoquinones that is p-benzoquinone in which the hydrogens are substituted by three methyl groups and a 12-hydroxydodeca-5,10-diyn-1-yl group.

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

Supplier Information

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Formula

C21H26O3

Net Charge

Average Mass

326.42930

Monoisotopic Mass

326.18819

InChI

InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3

InChIKey

WDEABJKSGGRCQA-UHFFFAOYSA-N

SMILES

CC1=C(C)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O

Roles Classification
Biological Role(s):	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor A lipoxygenase inhibitor that interferes with the action of arachidonate 5-lipoxygenase (EC 1.13.11.34). ferroptosis inhibitor Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.

ChEBI Ontology
Outgoing	docebenone (CHEBI:2340) has role EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor (CHEBI:64964) docebenone (CHEBI:2340) has role ferroptosis inhibitor (CHEBI:173084) docebenone (CHEBI:2340) is a 1,4-benzoquinones (CHEBI:132124) docebenone (CHEBI:2340) is a acetylenic compound (CHEBI:73474) docebenone (CHEBI:2340) is a primary alcohol (CHEBI:15734)

IUPAC Name

2-(12-hydroxydodeca-5,10-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione

Synonyms	Sources
2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone	ChEBI
2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p-benzoquinone	ChemIDplus
2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-1,4-benzoquinone	IUPAC
6-(12-hydroxydodeca-5,10-diyn-1-yl)-2,3,5-trimethyl-1,4-benzoquinone	ChEBI
AA-861	ChEBI
AA861	KEGG COMPOUND
Docebenone	KEGG COMPOUND

Last Modified

27 May 2021