<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">339358</id>
  <title nil="true"/>
  <common-name>9-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-4-hydroxy-2-methylfuro[3,2-g]chromen-5-one</common-name>
  <description>9-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-4-hydroxy-2-methylfuro[3,2-g]chromen-5-one is a chemical compound with the formula C24H25NO6. It has an average molecular weight of 423.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>41346</pubchem-id>
  <chemical-formula>C24H25NO6</chemical-formula>
  <weight>423.5</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">2026-08-30T22:39:14Z</created-at>
  <updated-at type="dateTime">2026-08-30T22:39:14Z</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>CCN(CC1=CC=CC=C1)CC(COC2=C3C(=C(C4=C2OC=CC4=O)O)C=C(O3)C)O</moldb-smiles>
  <moldb-formula>C24H25NO6</moldb-formula>
  <moldb-inchi>InChI=1S/C24H25NO6/c1-3-25(12-16-7-5-4-6-8-16)13-17(26)14-30-24-22-18(11-15(2)31-22)21(28)20-19(27)9-10-29-23(20)24/h4-11,17,26,28H,3,12-14H2,1-2H3</moldb-inchi>
  <moldb-inchikey>MCQXZLAHRGTPOT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">423.1681875</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.8</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>CHEM335251</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(ethyl)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>CED0289779</sync-id>
  <structure-inchikey>MCQXZLAHRGTPOT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000200040000000200000000200000100000100000000002000020000400000000000004000000000000000000000000000010000000000100000000000000000000000020a0000000010000000001400000000000102001000000000000000010400000108000080000000200000000000080000080004020000080000000000000100000000000010000004040000000000000000000000004000004000008000000000000000008000000000000000000000a000000000002002802000008000000000000000000002000020220000000000080000000000000080040000000000000000080000000048000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>5016c0009532864481445b648528b0001000140a95052000023f604082a44b4c4c220050138000001144410800c00000246002a5408d320109a6643940a14110c7130c0812901e0110901050017203000c04858151213f3342040562402259040c28253f4048a22062008401ddb4004d208680508101f10411182c7002510012504408094ef8820808060250c82c0008391d8a12c4101e8a50280c2060c000e500d311109192c22202000968017c35100ac00012a94188481ba04a100cc80212a01000a4849100330180848055110ad02d210000020452200d6022040a000300b514691608810000114004037112a0c60850027095c2840e0100194052000a02</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������"���€���`�������`������� ������`������@(������@h�������@h�������@h�������@h�������@h��������`�������`�������`�������(������@(������@(������@(������@(������@(������@(������@(������@h�������@h�������@(�������(�������h�������@h�������@(������@(�������`�������`��������������������h���h���h���h��	h��
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  <structure-indexed-at type="dateTime">2026-09-19T05:39:52Z</structure-indexed-at>
</compound>
