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CHEBI:133809 - anisindione

ChEBI IDCHEBI:133809
ChEBI Nameanisindione
Stars
DefinitionA cyclic β-diketone consisting of indane-1,3-dione having a 4-methoxyphenyl substituent at the 4-position.
Last Modified22 February 2017
DownloadsMolfile
FormulaC16H12O3
Net Charge0
Average Mass252.269
Monoisotopic Mass252.07864
SMILESCOc1ccc(C2C(=O)c3ccccc3C2=O)cc1
InChIInChI=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
InChIKeyXRCFXMGQEVUZFC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
vitamin K antagonist  A class of anticoagulants which act by inhibiting the action of vitamin K.
Application:
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
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 aromatic ketone (CHEBI:76224)
anisindione (CHEBI:133809) is a β-diketone (CHEBI:67265)
IUPAC Name 
2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione
INNs  Source
anisindioneKEGG DRUG
anisindionaChemIDplus
anisindionumChemIDplus
Synonyms  Source
Anisin indandioneDrugBank
2-(4-Methoxyphenyl)-1H-indene-1,3(2H)-dioneChemIDplus
2-(4-Methoxyphenyl)indan-1,3-dioneChemIDplus
2-(p-Methoxyphenyl)-1,3-indandioneChemIDplus
2-(p-Methoxyphenyl)indane-1,3-dioneChemIDplus
2-p-Anisyl-1,3-indandioneNIST Chemistry WebBook
Manual XrefsDatabases
D07457KEGG DRUG
DB01125DrugBank
US2899358Patent
AnisindioneWikipedia
222DrugCentral
Registry NumbersSources
Beilstein:1880681Beilstein
CAS:117-37-3KEGG DRUG
CAS:117-37-3DrugBank
CAS:117-37-3ChemIDplus
CAS:117-37-3NIST Chemistry WebBook