CHEBI:133809 - anisindione

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ChEBI Name anisindione ChEBI ID CHEBI:133809 Definition A cyclic β-diketone consisting of indane-1,3-dione having a 4-methoxyphenyl substituent at the 4-position. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C16H12O3 Net Charge 0 Average Mass 252.26470 Monoisotopic Mass 252.07864 InChI InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3 InChIKey XRCFXMGQEVUZFC-UHFFFAOYSA-N SMILES COc1ccc(cc1)C1C(=O)c2ccccc2C1=O Roles Classification Biological Role(s): vitamin K antagonist A class of anticoagulants which act by inhibiting the action of vitamin K. Application(s): anticoagulant An agent that prevents blood clotting. View more via ChEBI Ontology ChEBI Ontology Outgoing anisindione (CHEBI:133809) has parent hydride indane (CHEBI:37911) anisindione (CHEBI:133809) has role anticoagulant (CHEBI:50249) anisindione (CHEBI:133809) has role vitamin K antagonist (CHEBI:55347) anisindione (CHEBI:133809) is a β-diketone (CHEBI:67265) anisindione (CHEBI:133809) is a aromatic ketone (CHEBI:76224) IUPAC Name 2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione INNs Sources anisindiona ChemIDplus anisindione KEGG DRUG anisindionum ChemIDplus Synonyms Sources 2-(4-Methoxyphenyl)-1H-indene-1,3(2H)-dione ChemIDplus 2-(4-Methoxyphenyl)indan-1,3-dione ChemIDplus 2-(p-Methoxyphenyl)-1,3-indandione ChemIDplus 2-(p-Methoxyphenyl)indane-1,3-dione ChemIDplus 2-p-Anisyl-1,3-indandione NIST Chemistry WebBook 2-para-Anisyl-1,3-indandione ChemIDplus Anisin indandione DrugBank Manual Xrefs Databases 222 DrugCentral Anisindione Wikipedia D07457 KEGG DRUG DB01125 DrugBank US2899358 Patent View more database links Registry Numbers Types Sources 117-37-3 CAS Registry Number ChemIDplus 117-37-3 CAS Registry Number DrugBank 117-37-3 CAS Registry Number NIST Chemistry WebBook 117-37-3 CAS Registry Number KEGG DRUG 1880681 Beilstein Registry Number Beilstein Last Modified 22 February 2017