7172 <common-name>1-(4-HYDROXY-3-METHOXYPHENYL)DECAN-3-ONE</common-name> <description nil="true"/> <cas>27113-22-0</cas> <pubchem-id>94378</pubchem-id> <chemical-formula>C17H26O3</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">2016-05-19T02:09:39Z</created-at> <updated-at type="dateTime">2026-04-03T10:03:18Z</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>CCCCCCCC(=O)CCC1=CC(OC)=C(O)C=C1</moldb-smiles> <moldb-formula>C17H26O3</moldb-formula> <moldb-inchi>InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3</moldb-inchi> <moldb-inchikey>CZNLTCTYLMYLHL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">278.3865</moldb-average-mass> <moldb-mono-mass type="decimal">278.188194698</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>85173</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>CHEM006067</chemdb-id> <dsstox-id>DTXSID90181574</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00021973</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>46.53</moldb-polar-surface-area> <moldb-refractivity>81.59369999999998</moldb-refractivity> <moldb-polarizability>33.24999891921183</moldb-polarizability> <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>9.945876306662475</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.890618725191209</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>4.89</moldb-alogps-logp> <moldb-alogps-logs>-4.39</moldb-alogps-logs> <moldb-alogps-solubility>1.13e-02 g/l</moldb-alogps-solubility> </compound>