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CHEBI:61089 - 4-methyl-5-pentylbenzene-1,3-diol

ChEBI IDCHEBI:61089
ChEBI Name4-methyl-5-pentylbenzene-1,3-diol
Stars
DefinitionA resorcinol having methyl and pentyl groups at positions 4 and 5 respectively.
Last Modified26 January 2011
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H18O2
Net Charge0
Average Mass194.274
Monoisotopic Mass194.13068
SMILESCCCCCc1cc(O)cc(O)c1C
InChIInChI=1S/C12H18O2/c1-3-4-5-6-10-7-11(13)8-12(14)9(10)2/h7-8,13-14H,3-6H2,1-2H3
InChIKeyCUXFFBBWEJOYAI-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
4-methyl-5-pentylbenzene-1,3-diol (CHEBI:61089) has role antineoplastic agent (CHEBI:35610)
4-methyl-5-pentylbenzene-1,3-diol (CHEBI:61089) is a resorcinols (CHEBI:33572)
IUPAC Name 
4-methyl-5-pentylbenzene-1,3-diol
Registry NumbersSources
Reaxys:10668241Reaxys
Citations