<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">25696</id>
  <title nil="true"/>
  <common-name>Silidianin</common-name>
  <description nil="true"/>
  <cas>29782-68-1</cas>
  <pubchem-id>12442788</pubchem-id>
  <chemical-formula>C25H24O10</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">2016-05-25T21:48:08Z</created-at>
  <updated-at type="dateTime">2026-04-15T17:15:58Z</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>DB20237</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>COC1=C(O)C=CC(=C1)C1C2COC3(O)C2C(CC1C3=O)C1OC2=CC(O)=CC(O)=C2C(=O)C1O</moldb-smiles>
  <moldb-formula>C25H24O10</moldb-formula>
  <moldb-inchi>InChI=1S/C25H24O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-6,11-13,18,20,22-23,26-28,30,32H,7-8H2,1H3</moldb-inchi>
  <moldb-inchikey>RYFSLTQGWPBSRH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">484.4521</moldb-average-mass>
  <moldb-mono-mass type="decimal">484.136946988</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>CHEM024591</chemdb-id>
  <dsstox-id>DTXSID70858696</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00051143</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>162.97999999999996</moldb-polar-surface-area>
  <moldb-refractivity>118.73249999999997</moldb-refractivity>
  <moldb-polarizability>45.93437263515083</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>10</moldb-acceptor-count>
  <moldb-donor-count>5</moldb-donor-count>
  <moldb-pka-strongest-acidic>7.816637723523685</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.8776683247044046</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>6</moldb-number-of-rings>
  <moldb-alogps-logp>1.70</moldb-alogps-logp>
  <moldb-alogps-logs>-2.87</moldb-alogps-logs>
  <moldb-alogps-solubility>6.54e-01 g/l</moldb-alogps-solubility>
</compound>
