35824 <common-name>11b,13-Dihydrolactucin</common-name> <description nil="true"/> <cas>83117-63-9</cas> <pubchem-id>9970764</pubchem-id> <chemical-formula>C16H20O5</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">2016-05-26T05:09:25Z</created-at> <updated-at type="dateTime">2026-04-06T01:38:30Z</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>[H][C@]12OC(=O)[C@H](C)[C@]1([H])[C@H](O)CC(C)=C1C(=O)C=C(CO)[C@]21C</moldb-smiles> <moldb-formula>C16H20O5</moldb-formula> <moldb-inchi>InChI=1S/C16H20O5/c1-7-4-10(18)12-8(2)15(20)21-14(12)16(3)9(6-17)5-11(19)13(7)16/h5,8,10,12,14,17-18H,4,6H2,1-3H3/t8-,10-,12-,14+,16+/m1/s1</moldb-inchi> <moldb-inchikey>AVVAXORRBBPMQM-YRRGMINMSA-N</moldb-inchikey> <moldb-average-mass type="decimal">292.327</moldb-average-mass> <moldb-mono-mass type="decimal">292.13107375</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8146356</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>CHEM034719</chemdb-id> <dsstox-id>DTXSID701019932</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00094052</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>83.83</moldb-polar-surface-area> <moldb-refractivity>76.45979999999999</moldb-refractivity> <moldb-polarizability>30.092423421867682</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>14.59532430011151</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.76385307698707</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>0.38</moldb-alogps-logp> <moldb-alogps-logs>-2.04</moldb-alogps-logs> <moldb-alogps-solubility>2.69e+00 g/l</moldb-alogps-solubility> </compound>