<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">342347</id>
  <title nil="true"/>
  <common-name>9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]-4-hydroxy-2-methylfuro[3,2-g]chromen-5-one</common-name>
  <description>9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]-4-hydroxy-2-methylfuro[3,2-g]chromen-5-one is a chemical compound with the formula C25H27NO6. It has an average molecular weight of 437.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>37843</pubchem-id>
  <chemical-formula>C25H27NO6</chemical-formula>
  <weight>437.5</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">2026-08-31T03:16:14Z</created-at>
  <updated-at type="dateTime">2026-08-31T03:16:14Z</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(C3=C(C(=C2O1)OCC(CN(CC4=CC=CC=C4)C(C)C)O)OC=CC3=O)O</moldb-smiles>
  <moldb-formula>C25H27NO6</moldb-formula>
  <moldb-inchi>InChI=1S/C25H27NO6/c1-15(2)26(12-17-7-5-4-6-8-17)13-18(27)14-31-25-23-19(11-16(3)32-23)22(29)21-20(28)9-10-30-24(21)25/h4-11,15,18,27,29H,12-14H2,1-3H3</moldb-inchi>
  <moldb-inchikey>ZCIIIVKAHILJIV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">437.1838376</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>CHEM338240</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>9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]-4-hydroxy-2-methylfuro[3,2-g]chromen-5-one</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>Organoheterocyclic compounds</superklass>
  <klass>Benzopyrans</klass>
  <subklass>1-benzopyrans</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0292738</sync-id>
  <structure-inchikey>ZCIIIVKAHILJIV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000200040000000200000000200000100000000000001000000020000400000000000004000000000000000000000000000010000000000100000000000000000000000020a0000000010000000001400000000000102011000000000400000010400000108000000000000000000800000000000080004020000080000000000000100000000000010000000040000000000000000000000004000004000008000000000000000008000008000000000000000a000000200002002802000008000000000000000000002000020220000000000180000000000000080040000000000000000080000000008000000000000200</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���h���h���h���h��	h��
 
�����������������h���h���h���h���h���������������h���h���h���h���(��� 	�h���h���h���h�B���������	�������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:42:01Z</structure-indexed-at>
</compound>
