33013 <common-name>Tetracosyl ferulate</common-name> <description nil="true"/> <cas>101927-25-7</cas> <pubchem-id nil="true"/> <chemical-formula>C34H58O4</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">2016-05-26T03:00:24Z</created-at> <updated-at type="dateTime">2016-11-09T01:19:21Z</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>CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C/C1=CC(OC)=C(O)C=C1</moldb-smiles> <moldb-formula>C34H58O4</moldb-formula> <moldb-inchi>InChI=1S/C34H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-34(36)28-26-31-25-27-32(35)33(30-31)37-2/h25-28,30,35H,3-24,29H2,1-2H3/b28-26-</moldb-inchi> <moldb-inchikey>VUUWEVURXOCTGG-SGEDCAFJSA-N</moldb-inchikey> <moldb-average-mass type="decimal">530.8219</moldb-average-mass> <moldb-mono-mass type="decimal">530.433510344</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>CHEM031908</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac nil="true"/> <moldb-polar-surface-area>55.760000000000005</moldb-polar-surface-area> <moldb-refractivity>162.16670000000002</moldb-refractivity> <moldb-polarizability>70.07956413019038</moldb-polarizability> <moldb-rotatable-bond-count>27</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>9.86780689476177</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.888712062953741</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>10.38</moldb-alogps-logp> <moldb-alogps-logs>-7.46</moldb-alogps-logs> <moldb-alogps-solubility>1.85e-05 g/l</moldb-alogps-solubility> </compound>