19738 <common-name>Selamectin</common-name> <description nil="true"/> <cas>165108-07-6</cas> <pubchem-id nil="true"/> <chemical-formula>C43H63NO11</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">2016-05-22T05:24:41Z</created-at> <updated-at type="dateTime">2026-05-14T19:09:51Z</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>DB11459</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]\C1=C(C)/[C@@]([H])(O[C@@]2([H])C[C@]([H])(OC)[C@@]([H])(O)[C@]([H])(C)O2)[C@@]([H])(C)\C([H])=C(/[H])\C(\[H])=C2/CO[C@]3([H])\C(=N/O)C(C)=C[C@@]([H])(C(=O)O[C@@]4([H])C[C@@]([H])(C1)O[C@@]1(CC[C@]([H])(C)[C@]([H])(O1)C1CCCCC1)C4)[C@]23O</moldb-smiles> <moldb-formula>C43H63NO11</moldb-formula> <moldb-inchi>InChI=1S/C43H63NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16-18,20-23H2,1-6H3/b11-10+,25-15+,30-14+,44-36-/t24-,26-,28-,31+,32-,33-,34-,35-,37-,38-,39-,40+,42+,43+/m0/s1</moldb-inchi> <moldb-inchikey>AFJYYKSVHJGXSN-XHKIUTQPSA-N</moldb-inchikey> <moldb-average-mass type="decimal">769.973</moldb-average-mass> <moldb-mono-mass type="decimal">769.440111853</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.21</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>16738655</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>CHEM018633</chemdb-id> <dsstox-id>DTXSID6045903</dsstox-id> <toxcast-id>45903</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00008695</susdat-id> <iupac>(1'R,2R,4'S,5S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'Z,24'S)-6-cyclohexyl-24'-hydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one</iupac> <moldb-polar-surface-area>154.73</moldb-polar-surface-area> <moldb-refractivity>206.74740000000006</moldb-refractivity> <moldb-polarizability>85.74762918411093</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>11</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>9.580613399258752</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.5794959345802857</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>7</moldb-number-of-rings> <moldb-alogps-logp>5.09</moldb-alogps-logp> <moldb-alogps-logs>-5.26</moldb-alogps-logs> <moldb-alogps-solubility>4.25e-03 g/l</moldb-alogps-solubility> </compound>