45086 <common-name>salinomycin</common-name> <description nil="true"/> <cas>53003-10-4</cas> <pubchem-id>3085092</pubchem-id> <chemical-formula>C42H70O11</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">2016-06-03T11:30:44Z</created-at> <updated-at type="dateTime">2026-05-14T19:10:25Z</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>DB11544</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@@](C)(C(=O)[C@]([H])(CC)[C@@]1([H])O[C@@]2(O[C@@]3(CC[C@](C)(O3)[C@@]3([H])CC[C@](O)(CC)[C@]([H])(C)O3)[C@]([H])(O)C=C2)[C@]([H])(C)C[C@]1([H])C)[C@@]([H])(O)[C@]([H])(C)[C@]1([H])O[C@]([H])(CC[C@]1([H])C)[C@@]([H])(CC)C(O)=O</moldb-smiles> <moldb-formula>C42H70O11</moldb-formula> <moldb-inchi>InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1</moldb-inchi> <moldb-inchikey>KQXDHUJYNAXLNZ-XQSDOZFQSA-N</moldb-inchikey> <moldb-average-mass type="decimal">751.011</moldb-average-mass> <moldb-mono-mass type="decimal">750.491813074</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.51</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2342058</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>CHEM043981</chemdb-id> <dsstox-id>DTXSID4048486</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Zweckverband Landeswasserversorgung Langenau</stoff-ident-origin> <stoff-ident-id>SI00004554</stoff-ident-id> <susdat-id>NS00007817</susdat-id> <iupac>(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid</iupac> <moldb-polar-surface-area>161.20999999999998</moldb-polar-surface-area> <moldb-refractivity>200.06630000000004</moldb-refractivity> <moldb-polarizability>81.81539284165163</moldb-polarizability> <moldb-rotatable-bond-count>12</moldb-rotatable-bond-count> <moldb-acceptor-count>11</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>4.452481210241194</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.0374298052209197</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>4.48</moldb-alogps-logp> <moldb-alogps-logs>-5.40</moldb-alogps-logs> <moldb-alogps-solubility>2.97e-03 g/l</moldb-alogps-solubility> </compound>