5-heptadecylresorcinol (CHEBI:145967)

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ChEBI Name	5-heptadecylresorcinol

ChEBI ID	CHEBI:145967

Definition	A 5-alkylresorcinol that is resorcinol which is substituted by a heptadecyl group at position 5. It is found in wheat bran.

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

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C23H40O2

Net Charge

Average Mass

348.571

Monoisotopic Mass

348.30283

InChI

InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3

InChIKey

BBGNINPPDHJETF-UHFFFAOYSA-N

SMILES

C1(=CC(=CC(=C1)CCCCCCCCCCCCCCCCC)O)O

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

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

ChEBI Ontology
Outgoing	5-heptadecylresorcinol (CHEBI:145967) has role antineoplastic agent (CHEBI:35610) 5-heptadecylresorcinol (CHEBI:145967) has role plant metabolite (CHEBI:76924) 5-heptadecylresorcinol (CHEBI:145967) is a 5-alkylresorcinol (CHEBI:52679)

IUPAC Name

5-heptadecylbenzene-1,3-diol

Synonyms	Sources
1,3-dihydroxy-5-n-heptadecylbenzene	ChEBI
5-heptadecyl-1,3-benzenediol	ChEBI
5-heptadecyl-1,3-dihydroxybenzene	ChEBI
5-heptadecylresorcinol	ChEBI
5-n-heptadecylresorcinol	LIPID MAPS

Last Modified

11 February 2020