20400 <common-name>Siccanin</common-name> <description nil="true"/> <cas>22733-60-4</cas> <pubchem-id nil="true"/> <chemical-formula>C22H30O3</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">2016-05-22T05:59:36Z</created-at> <updated-at type="dateTime">2026-04-15T17:40:13Z</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>DB20898</drugbank-id> <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>[H][C@]12OCC34CCCC(C)(C)[C@]3([H])CC[C@](C)(OC3=CC(C)=CC(O)=C13)[C@]24[H]</moldb-smiles> <moldb-formula>C22H30O3</moldb-formula> <moldb-inchi>InChI=1S/C22H30O3/c1-13-10-14(23)17-15(11-13)25-21(4)9-6-16-20(2,3)7-5-8-22(16)12-24-18(17)19(21)22/h10-11,16,18-19,23H,5-9,12H2,1-4H3/t16-,18-,19-,21-,22?/m0/s1</moldb-inchi> <moldb-inchikey>UGGAILYEBCSZIV-NPVRBOKNSA-N</moldb-inchikey> <moldb-average-mass type="decimal">342.479</moldb-average-mass> <moldb-mono-mass type="decimal">342.219494826</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>CHEM019295</chemdb-id> <dsstox-id>DTXSID1046843</dsstox-id> <toxcast-id>46843</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00125651</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>38.69</moldb-polar-surface-area> <moldb-refractivity>97.9824</moldb-refractivity> <moldb-polarizability>39.5689310937765</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>9.161835040217861</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.108473021657166</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>4.79</moldb-alogps-logp> <moldb-alogps-logs>-5.46</moldb-alogps-logs> <moldb-alogps-solubility>1.20e-03 g/l</moldb-alogps-solubility> </compound>