25690 <common-name>C.I. Natural Red 20</common-name> <description>C.I. Natural Red 20 belongs to the naphthoquinones, a subclass of naphthalenes within the organic compounds. It is a benzenoid with the formula C16H16O5 and an average molecular weight of 288.30 g/mol.</description> <cas>517-88-4</cas> <pubchem-id>5208</pubchem-id> <chemical-formula>C16H16O5</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">2016-05-25T21:47:56Z</created-at> <updated-at type="dateTime">2026-04-06T12:25:50Z</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)=CCC(O)C1=CC(=O)C2=C(O)C=CC(O)=C2C1=O</moldb-smiles> <moldb-formula>C16H16O5</moldb-formula> <moldb-inchi>InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3</moldb-inchi> <moldb-inchikey>NEZONWMXZKDMKF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">288.2952</moldb-average-mass> <moldb-mono-mass type="decimal">288.099773622</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM024585</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00123717</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>94.82999999999998</moldb-polar-surface-area> <moldb-refractivity>79.82019999999999</moldb-refractivity> <moldb-polarizability>29.796748179154434</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>9.60373930011847</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.105504600562978</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.19</moldb-alogps-logp> <moldb-alogps-logs>-3.09</moldb-alogps-logs> <moldb-alogps-solubility>2.36e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthoquinones</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0113980</sync-id> <structure-inchikey>NEZONWMXZKDMKF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000002000c80000000000004000000004000000000000100000000000000000000020000000000000000000000020000000000000000100000000000000000000000000000000020000000020000000000200000000000010000000000000010000000000000000000000000000000000000000000000000000400000000040000000000000000000000004000000000000000000000000400000000000000000000000002000080020000000000000000001180000000000000000000000000200002100000001000000000000000000000000001200000c00000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> 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