9287 <common-name>Traseolide</common-name> <description nil="true"/> <cas>68140-48-7</cas> <pubchem-id>91696</pubchem-id> <chemical-formula>C5H9NO4</chemical-formula> <weight>258.4</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">2016-05-19T02:40:15Z</created-at> <updated-at type="dateTime">2026-08-20T01:10:42Z</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(N)C(O)=O)C(O)=O</moldb-smiles> <moldb-formula>C5H9NO4</moldb-formula> <moldb-inchi>InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)</moldb-inchi> <moldb-inchikey>LXRUAYBIUSUULX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">147.13</moldb-average-mass> <moldb-mono-mass type="decimal">147.053157774</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>82799</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>CHEM008182</chemdb-id> <dsstox-id>DTXSID9052393</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00007224</susdat-id> <iupac>1-(1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone</iupac> <moldb-polar-surface-area>100.62000000000002</moldb-polar-surface-area> <moldb-refractivity>31.107200000000002</moldb-refractivity> <moldb-polarizability>13.188908121358466</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>1.87401756384227</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.67648120105082</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-3.30</moldb-alogps-logp> <moldb-alogps-logs>-0.18</moldb-alogps-logs> <moldb-alogps-solubility>9.74e+01 g/l</moldb-alogps-solubility> </compound>