CHEBI:27418 - 1,4-naphthoquinone

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ChEBI Name 1,4-naphthoquinone ChEBI ID CHEBI:27418 Definition The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:542, CHEBI:18938 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 C10H6O2 Net Charge 0 Average Mass 158.15344 Monoisotopic Mass 158.03678 InChI InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H InChIKey FRASJONUBLZVQX-UHFFFAOYSA-N SMILES O=C1C=CC(=O)c2ccccc12 ChEBI Ontology Outgoing 1,4-naphthoquinone (CHEBI:27418) has parent hydride naphthalene (CHEBI:16482) 1,4-naphthoquinone (CHEBI:27418) is a 1,4-naphthoquinones (CHEBI:132142) Incoming 1,4-naphthoquinone-2-carboxylic acid (CHEBI:88158) has functional parent 1,4-naphthoquinone (CHEBI:27418) 2,3-dimethoxynaphthalene-1,4-dione (CHEBI:64215) has functional parent 1,4-naphthoquinone (CHEBI:27418) alisiaquinone A (CHEBI:65382) has functional parent 1,4-naphthoquinone (CHEBI:27418) deoxyerythrostominol (CHEBI:194117) has functional parent 1,4-naphthoquinone (CHEBI:27418) deoxyerythrostominone (CHEBI:194115) has functional parent 1,4-naphthoquinone (CHEBI:27418) epierythrostominol (CHEBI:194116) has functional parent 1,4-naphthoquinone (CHEBI:27418) erythrostominone (CHEBI:194114) has functional parent 1,4-naphthoquinone (CHEBI:27418) IUPAC Name naphthalene-1,4-dione Synonyms Sources 1,4-dihydro-1,4-diketonaphthalene NIST Chemistry WebBook 1,4-Naphthalenedione KEGG COMPOUND 1,4-Naphthoquinone KEGG COMPOUND 1,4-NQ ChEBI [1,4]naphthoquinon ChEBI α-naphthoquinone NIST Chemistry WebBook naphthoquinone NIST Chemistry WebBook p-naphthoquinone NIST Chemistry WebBook Manual Xref Database C02617 KEGG COMPOUND View more database links Registry Numbers Types Sources 130-15-4 CAS Registry Number KEGG COMPOUND 130-15-4 CAS Registry Number NIST Chemistry WebBook 130-15-4 CAS Registry Number ChemIDplus 240850 Gmelin Registry Number Gmelin 878524 Reaxys Registry Number Reaxys 878524 Beilstein Registry Number Beilstein Citations Types Sources 26684482 PubMed citation Europe PMC 28166217 PubMed citation Europe PMC Last Modified 08 June 2017