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<compound>
  <id type="integer">25308</id>
  <title nil="true"/>
  <common-name>Arborinine</common-name>
  <description>Arborinine is an organic compound with the chemical formula C16H15NO4 and an average molecular weight of 285.29 g/mol. Arborinine belongs to the benzoquinolines, a subclass of quinolines and derivatives within the organic compounds.

This substance is found in or released from 13 recorded sources across several diverse sectors. Within electrical and electronic equipment, it is associated with batteries, capacitors, printed circuit boards, cell phones, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. Its presence is also recorded in food packaging within the food, food processing and cookware category. Additionally, it is linked to medical devices in the healthcare, pharmaceuticals and veterinary products sector. In both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, it is found in lubricants. One other sector is also recorded as a source. Recorded exposure routes for the compound include oral, inhalation, and touch.</description>
  <cas>5489-57-6</cas>
  <pubchem-id>5281832</pubchem-id>
  <chemical-formula>C16H15NO4</chemical-formula>
  <weight>285.29</weight>
  <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">2016-05-25T21:33:35Z</created-at>
  <updated-at type="dateTime">2026-08-19T15:16:55Z</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>COC1=C(OC)C(O)=C2C(=O)C3=CC=CC=C3N(C)C2=C1</moldb-smiles>
  <moldb-formula>C16H15NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3</moldb-inchi>
  <moldb-inchikey>ATBZZQPALSPNMF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">285.2946</moldb-average-mass>
  <moldb-mono-mass type="decimal">285.100107973</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4445138</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>CHEM024203</chemdb-id>
  <dsstox-id>DTXSID60203378</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00094756</susdat-id>
  <iupac>1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one</iupac>
  <moldb-polar-surface-area>59.000000000000014</moldb-polar-surface-area>
  <moldb-refractivity>78.86569999999999</moldb-refractivity>
  <moldb-polarizability>29.758501327149304</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>5</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>10.60642147319382</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-1.0530702231113596</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>2.61</moldb-alogps-logp>
  <moldb-alogps-logs>-3.06</moldb-alogps-logs>
  <moldb-alogps-solubility>2.49e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Quinolines and derivatives</klass>
  <subklass>Benzoquinolines</subklass>
  <paper-count type="integer">43</paper-count>
  <sync-id>CED0018695</sync-id>
  <structure-inchikey>ATBZZQPALSPNMF-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:09:38Z</structure-indexed-at>
</compound>
