6472 <common-name>5,7-DIHYDROXY-2-(3-HYDROXY-4-METHXY-PHENYL)-CHROMAN-4-ONE</common-name> <description>5,7-DIHYDROXY-2-(3-HYDROXY-4-METHXY-PHENYL)-CHROMAN-4-ONE belongs to the o-methylated flavonoids, a subclass of flavonoids within the organic compounds. This compound has the chemical formula C16H12O6 and an average molecular weight of 300.26 g/mol. It is classified within the superclass of phenylpropanoids and polyketides. In industrial applications, this compound serves as an antioxidant, a softener and conditioner, and a flavouring and nutrient. It has been recorded in six different sources, including household cleaning and consumer products such as soap dispensers, and electrical and electronic equipment, specifically amplifiers and power cables. Additionally, it is found in food, food processing, and cookware, including the preparation of vinegar, the preparation of wine or sparkling wine, and molasses and the treatment of molasses. At the molecular level, the compound interacts with five recorded protein targets. It acts as an antagonist or inhibitor of the sex hormone-binding globulin (SHBG), sterol O-acyltransferase 1 (SOAT1), sterol O-acyltransferase 2 (SOAT2), and the microsomal triglyceride transfer protein large subunit (MTTP), as well as one other protein.</description> <cas>520-33-2</cas> <pubchem-id>5281612</pubchem-id> <chemical-formula>C16H12O6</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">2016-05-19T02:01:17Z</created-at> <updated-at type="dateTime">2026-05-14T16:57:47Z</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>DB01094</drugbank-id> <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>COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O</moldb-smiles> <moldb-formula>C16H12O6</moldb-formula> <moldb-inchi>InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3</moldb-inchi> <moldb-inchikey>MBNGWHIJMBWFHU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">300.2629</moldb-average-mass> <moldb-mono-mass type="decimal">300.063388116</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.68</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4444931</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>CHEM005367</chemdb-id> <dsstox-id>DTXSID80199966</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00014641</susdat-id> <iupac>(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</iupac> <moldb-polar-surface-area>96.22000000000001</moldb-polar-surface-area> <moldb-refractivity>79.37710000000001</moldb-refractivity> <moldb-polarizability>29.83669989946849</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>6.637302029241538</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.774841182860492</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>3.06</moldb-alogps-logp> <moldb-alogps-logs>-3.60</moldb-alogps-logs> <moldb-alogps-solubility>7.54e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Phenylpropanoids and polyketides</superklass> <klass>Flavonoids</klass> <subklass>O-methylated flavonoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0105361</sync-id> <structure-inchikey>MBNGWHIJMBWFHU-UHFFFAOYSA-N</structure-inchikey> 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