295985 <common-name>[4-[3-oxo-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen sulfate</common-name> <description>[4-[3-oxo-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen sulfate belongs to the chalcones and dihydrochalcones, a subclass of linear 1,3-diarylpropanoids within the organic compounds. This compound has the formula C15H14O8S and an average molecular weight of 354.30 g/mol. It is further classified under the superclass of phenylpropanoids and polyketides.</description> <cas nil="true"/> <pubchem-id>122231132</pubchem-id> <chemical-formula>C15H14O8S</chemical-formula> <weight>354.3</weight> <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">2026-08-28T12:02:16Z</created-at> <updated-at type="dateTime">2026-08-28T12:02:16Z</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>C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)OS(=O)(=O)O</moldb-smiles> <moldb-formula>C15H14O8S</moldb-formula> <moldb-inchi>InChI=1S/C15H14O8S/c16-10-7-13(18)15(14(19)8-10)12(17)6-3-9-1-4-11(5-2-9)23-24(20,21)22/h1-2,4-5,7-8,16,18-19H,3,6H2,(H,20,21,22)</moldb-inchi> <moldb-inchikey>IKBKWHISHDVLNO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">354.0409386</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM291878</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[4-[3-oxo-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen sulfate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Phenylpropanoids and polyketides</superklass> <klass>Linear 1,3-diarylpropanoids</klass> <subklass>Chalcones and dihydrochalcones</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0247402</sync-id> <structure-inchikey>IKBKWHISHDVLNO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000001000000000000000000000000000000000002002000000a0000000000000000000084000000000000080000000000000008000000208000000000000020000000000100000200000040000000040000010000000000080000100000000000000000000001000000000000000000440000000000200000000000000000000004000000000000001000000000000000000000000000000000080000000000000000000000080000000000000000000008000000002100000000000000000000040000000000000220000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGQAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAYAYAAAAAIC BgBgAAAAAgIGACgAAAADBAgAKAAAAAMCBkAoAAAAAwQGQCgAAAADBAZAaAAA AAMDAQZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQIAGgAAAADAQEIAGgAAAAD AQEIAGgAAAADAQEIACgAAAADAhAAIAAAAAYIACgAAAADAggAKAAAAAMCCABg AAAAAQELAAFoDAECaAwCA2gMAwRoDAQFaAwFBgAGBwAHCAAICSgCCAogCgto DAsMaAwMDWgMDQ5oDA4PaAwPECANESALEiACEyATFAAUFQgCFBYIAhQXAAUA aAwPCmgMQgIAAAAGAAUEAwIBBgsMDQ4PChcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:07:20Z</structure-indexed-at> </compound>