EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145967 - 5-heptadecylresorcinol

Default Structure
ChEBI IDCHEBI:145967
ChEBI Name5-heptadecylresorcinol
Stars
DefinitionA 5-alkylresorcinol that is resorcinol which is substituted by a heptadecyl group at position 5. It is found in wheat bran.
Last Modified11 February 2020
Submittermwilliams
DownloadsMolfile
FormulaC23H40O2
Net Charge0
Average Mass348.571
Monoisotopic Mass348.30283
SMILESCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1
InChIInChI=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
InChIKeyBBGNINPPDHJETF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Propolis (ncbitaxon:931589) - PubMed (25432012)
Secale cereale (ncbitaxon:4550) - PubMed (17542491)
Triticum (ncbitaxon:4564) - DOI (/10.1016/j.foodchem.2011.07.023)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1,3-dihydroxy-5-n-heptadecylbenzeneChEBI
5-n-heptadecylresorcinolLIPID MAPS
5-heptadecyl-1,3-benzenediolChEBI
5-heptadecyl-1,3-dihydroxybenzeneChEBI
5-heptadecylresorcinolChEBI
Manual XrefsDatabases
FDB017915FooDB
HMDB0038530HMDB
LMPK15030003LIPID MAPS
Registry NumbersSources
Reaxys:2287460Reaxys
CAS:41442-57-3ChemIDplus
Citations