44476 <common-name>1-(4-isopropylphenyl)-3-phenyl-1,3-propanedione</common-name> <description nil="true"/> <cas>63250-25-9</cas> <pubchem-id>91682</pubchem-id> <chemical-formula>C18H18O2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-06-03T10:51:27Z</created-at> <updated-at type="dateTime">2026-03-26T20:32:29Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(C)C1=CC=C(C=C1)C(=O)CC(=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C18H18O2</moldb-formula> <moldb-inchi>InChI=1S/C18H18O2/c1-13(2)14-8-10-16(11-9-14)18(20)12-17(19)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3</moldb-inchi> <moldb-inchikey>LALVCWMSKLEQMK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">266.34</moldb-average-mass> <moldb-mono-mass type="decimal">266.13067982</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>82785</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM043371</chemdb-id> <dsstox-id>DTXSID8069802</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Arzneimittel (UBA)</stoff-ident-origin> <stoff-ident-id>SI00002265</stoff-ident-id> <susdat-id>NS00002764</susdat-id> <iupac>1-phenyl-3-[4-(propan-2-yl)phenyl]propane-1,3-dione</iupac> </compound>