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  <common-name>Protohypericin</common-name>
  <description nil="true"/>
  <cas>548-03-8</cas>
  <pubchem-id>5489488</pubchem-id>
  <chemical-formula>C30H18O8</chemical-formula>
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  <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">2016-05-26T00:20:20Z</created-at>
  <updated-at type="dateTime">2026-04-06T02:13:03Z</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>CC1=CC2=C(C(O)=C1)C(=O)C1=C(O)C=C(O)C3=C4C(O)=CC(O)=C5C(=O)C6=C(C=C(C)C=C6O)C(C2=C13)=C45</moldb-smiles>
  <moldb-formula>C30H18O8</moldb-formula>
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  <moldb-inchikey>YLILOANQCQKPOD-UHFFFAOYSA-N</moldb-inchikey>
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  <moldb-mono-mass type="decimal">506.100167552</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4590166</chemspider-id>
  <structure-image-file-name nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM028268</chemdb-id>
  <dsstox-id>DTXSID30203269</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00094673</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>155.52</moldb-polar-surface-area>
  <moldb-refractivity>140.2336</moldb-refractivity>
  <moldb-polarizability>51.1511340881561</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>8</moldb-acceptor-count>
  <moldb-donor-count>6</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.5294788338363703</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>11.29126967391554</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-4</moldb-physiological-charge>
  <moldb-number-of-rings>7</moldb-number-of-rings>
  <moldb-alogps-logp>3.99</moldb-alogps-logp>
  <moldb-alogps-logs>-5.01</moldb-alogps-logs>
  <moldb-alogps-solubility>5.00e-03 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Perylenequinones</klass>
  <subklass nil="true"/>
  <paper-count type="integer">86</paper-count>
  <sync-id>CED0019963</sync-id>
  <structure-inchikey>YLILOANQCQKPOD-UHFFFAOYSA-N</structure-inchikey>
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  <structure-pickle>ï¾­Þ����������������&amp;���,���€���`������@(������@h�������@(������@(������@(�������h�������@h�������@(�������(������@(������@(�������h�������@h�������@(�������h�������@(������@(������@(�������h�������@h�������@(�������h�������@(������@(�������(������@(������@(������@h�������@(�������`������@h�������@(�������h�������@(������@(������@(������@(�����������h���h���h���h��� ��h���h��	(��
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�����%�����"%����� ����$#"%�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T02:23:53Z</structure-indexed-at>
</compound>
