<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">292246</id>
  <title nil="true"/>
  <common-name>8-[(dimethylamino)methyl]-2-ethyl-7-hydroxychromen-4-one</common-name>
  <description>8-[(dimethylamino)methyl]-2-ethyl-7-hydroxychromen-4-one belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This organoheterocyclic compound has the chemical formula C14H17NO3 and an average molecular weight of 247.29 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>49461</pubchem-id>
  <chemical-formula>C14H17NO3</chemical-formula>
  <weight>247.29</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">2026-08-28T07:32:39Z</created-at>
  <updated-at type="dateTime">2026-08-28T07:32:39Z</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>CCC1=CC(=O)C2=C(O1)C(=C(C=C2)O)CN(C)C</moldb-smiles>
  <moldb-formula>C14H17NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C14H17NO3/c1-4-9-7-13(17)10-5-6-12(16)11(8-15(2)3)14(10)18-9/h5-7,16H,4,8H2,1-3H3</moldb-inchi>
  <moldb-inchikey>VTPKETNQYUYUGS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">247.1208434</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM288139</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>8-[(dimethylamino)methyl]-2-ethyl-7-hydroxychromen-4-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>CED0243809</sync-id>
  <structure-inchikey>VTPKETNQYUYUGS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000040000400000000000000000000000000000000002000020000000000004000000000000000000000000000000000010000000000000000000000000000000000028800000000800000000000100000000000000010000000000000000104000000000800000000000000000000000000000000040000000000080000000000000100000040000000000800000000000000000000000000000040000080000000000000000000000100000000000000000000000000000002900000000000000000000000000000004000200080000000100000000000000000040000000010000020080000000000000000000102000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBgBgAAAAAQMGAGAAAAAC
AgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkAo
AAAAAwQIQCgAAAADAgZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAAD
AwEIAGgAAAADAQEGAGAAAAACAgcAIAAAAAMGAGAAAAABAwYAYAAAAAEDCwAB
AAECAAIDaAwDBGgMBAUoAgQGaAwGB2gMBwhoDAcJaAwJCmgMCgtoDAsMaAwK
DSAJDgAODwAPEAAPEQAIAmgMDAZoDEICAAAABgIIBwYEAwYJCgsMBgcXBAAA
AAAAAAAW
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:04:26Z</structure-indexed-at>
</compound>
