CHEBI:16536 - orcinol

ChEBI IDCHEBI:16536
ChEBI Nameorcinol
Stars
DefinitionA 5-alkylresorcinol in which the alkyl group is specified as methyl.
Secondary ChEBI IDsCHEBI:7780, CHEBI:14697, CHEBI:25694
Last Modified6 June 2022
DownloadsMolfile
FormulaC7H8O2
Net Charge0
Average Mass124.139
Monoisotopic Mass124.05243
SMILESCc1cc(O)cc(O)c1
InChIInChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
InChIKeyOIPPWFOQEKKFEE-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Aspergillus sydowii (ncbitaxon:75750) - PubMed (21718031) Ethyl acetate extract of culture broth, fungus isolated from a sea fan, Annella sp. Strain: PSU F154
Ascomycota sp. Ind19F07 (ncbitaxon:1583058) - PubMed (25537370)
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
orcinol (CHEBI:16536) has role Aspergillus metabolite (CHEBI:76956)
orcinol (CHEBI:16536) is a 5-alkylresorcinol (CHEBI:52679)
orcinol (CHEBI:16536) is a dihydroxytoluene (CHEBI:64532)
IUPAC Name 
5-methylbenzene-1,3-diol
Synonyms  Source
OrcinolKEGG COMPOUND
5-Methyl-1,3-benzenediolKEGG COMPOUND
5-MethylresorcinolKEGG COMPOUND
3,5-ToluenediolKEGG COMPOUND
3,5-DihydroxytolueneKEGG COMPOUND
1,3-Dihydroxy-5-methylbenzeneChemIDplus
UniProt Name  Source
orcinolUniProt
Manual XrefsDatabases
C00727KEGG COMPOUND
C00727KEGG COMPOUND
c0155UM-BBD
ORCINOL-CPDMetaCyc
OrcinolWikipedia
C00002661KNApSAcK
Registry NumbersSources
Reaxys:1071903Reaxys
CAS:504-15-4KEGG COMPOUND
CAS:504-15-4ChemIDplus
CAS:504-15-4NIST Chemistry WebBook
Citations