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

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ChEBI Name 4-methyl-5-pentylbenzene-1,3-diol ChEBI ID CHEBI:61089 Definition A resorcinol having methyl and pentyl groups at positions 4 and 5 respectively. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H18O2 Net Charge 0 Average Mass 194.27010 Monoisotopic Mass 194.13068 InChI InChI=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 InChIKey CUXFFBBWEJOYAI-UHFFFAOYSA-N SMILES CCCCCc1cc(O)cc(O)c1C Roles Classification Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Number Type Source 10668241 Reaxys Registry Number Reaxys Citations Types Sources 17027864 PubMed citation Europe PMC 18252726 PubMed citation SUBMITTER Last Modified 26 January 2011