26123 <common-name>Adipostatin A</common-name> <description nil="true"/> <cas>3158-56-3</cas> <pubchem-id>76617</pubchem-id> <chemical-formula>C21H36O2</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">2016-05-25T22:04:59Z</created-at> <updated-at type="dateTime">2026-04-03T07:22:08Z</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>CCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</moldb-smiles> <moldb-formula>C21H36O2</moldb-formula> <moldb-inchi>InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3</moldb-inchi> <moldb-inchikey>KVVSCMOUFCNCGX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">320.5093</moldb-average-mass> <moldb-mono-mass type="decimal">320.271530396</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>69081</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>CHEM025018</chemdb-id> <dsstox-id>DTXSID7062875</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00020193</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>40.46</moldb-polar-surface-area> <moldb-refractivity>99.475</moldb-refractivity> <moldb-polarizability>42.262198806431954</moldb-polarizability> <moldb-rotatable-bond-count>14</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>9.359032641624808</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-5.665057916048593</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>8.18</moldb-alogps-logp> <moldb-alogps-logs>-5.92</moldb-alogps-logs> <moldb-alogps-solubility>3.83e-04 g/l</moldb-alogps-solubility> </compound>