<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">343100</id>
  <title nil="true"/>
  <common-name>4-[3-[6-ethoxy-3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxypropyl]phenol</common-name>
  <description>4-[3-[6-ethoxy-3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxypropyl]phenol is a chemical compound with the formula C25H35NO5. It has an average molecular weight of 429.50 g/mol.</description>
  <cas>126406-29-9</cas>
  <pubchem-id>3079790</pubchem-id>
  <chemical-formula>C25H35NO5</chemical-formula>
  <weight>429.5</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">2026-08-31T04:21:58Z</created-at>
  <updated-at type="dateTime">2026-08-31T04:21:58Z</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 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>CCOC1=C(C(=C(C=C1)OC)OCCN2CCCCC2)C(CCC3=CC=C(C=C3)O)O</moldb-smiles>
  <moldb-formula>C25H35NO5</moldb-formula>
  <moldb-inchi>InChI=1S/C25H35NO5/c1-3-30-22-13-14-23(29-2)25(31-18-17-26-15-5-4-6-16-26)24(22)21(28)12-9-19-7-10-20(27)11-8-19/h7-8,10-11,13-14,21,27-28H,3-6,9,12,15-18H2,1-2H3</moldb-inchi>
  <moldb-inchikey>CIOQAGGXNAPCDI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">429.2515232</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.2</logp>
  <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>CHEM338993</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>4-[3-[6-ethoxy-3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxypropyl]phenol</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Phenylpropanoids and polyketides</superklass>
  <klass>Linear 1,3-diarylpropanoids</klass>
  <subklass>Cinnamylphenols</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0293480</sync-id>
  <structure-inchikey>CIOQAGGXNAPCDI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>6004000000000000000080020000000000000000000000000000000010040040000000000200020000040000000000100000000000400000000000000000000000000400000000000000000004000000000000000000010000000000104000000000000001000000004000000000000000000002010000000000000000000000080004004000000000000000000000400000000000000000100002100000000000000000400000000080200008000000000200000008000000a000000400000080000000000000042000002000000000000000000000000000000228000020010000000000800000000040000000000000000000000020000002000000100000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������!���€���`�������`�������(������@(������@(������@(������@(������@h�������@h��������(�������`�������(�������`�������`������� ������`�������`�������`�������`�������`�������`�������`�������`������@(������@h�������@h�������@(������@h�������@h��������h��������`�������������� ��h���h���h���h���h��	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:42:35Z</structure-indexed-at>
</compound>
