<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">316710</id>
  <title nil="true"/>
  <common-name>1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-2-methylpropane-1,3-dione</common-name>
  <description>1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-2-methylpropane-1,3-dione is a chemical compound with the formula C19H18O6. It has an average molecular weight of 342.30 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>42607646</pubchem-id>
  <chemical-formula>C19H18O6</chemical-formula>
  <weight>342.3</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">2026-08-29T14:31:19Z</created-at>
  <updated-at type="dateTime">2026-08-29T14:31:19Z</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>CC(C(=O)C1=CC2=C(C=C1)OCO2)C(=O)C3=C(C=C(C=C3)OC)OC</moldb-smiles>
  <moldb-formula>C19H18O6</moldb-formula>
  <moldb-inchi>InChI=1S/C19H18O6/c1-11(18(20)12-4-7-15-17(8-12)25-10-24-15)19(21)14-6-5-13(22-2)9-16(14)23-3/h4-9,11H,10H2,1-3H3</moldb-inchi>
  <moldb-inchikey>YDGCLJLINDCFAM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">342.1103383</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.4</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>CHEM312603</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>1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-2-methylpropane-1,3-dione</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>Chalcones and dihydrochalcones</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0267542</sync-id>
  <structure-inchikey>YDGCLJLINDCFAM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000001000000000000000000000004000000000000000000000400000001000000000200000000000000020001000000000400000000000000000000800000000000000000000000000100020800000000100000200002000000000040000010000000040000000100000000000020000000000000000000000000010000040000000000000000000000000000000000000000002000002000000000000000000000004000000084000000000000000000000000000000000000080000000000000000000010000010000000000004000000000000200000000000080000000000000010040000000400440000000000028000100000100000000</structure-fingerprint>
  <structure-pattern-fingerprint>501440000132864081000b400128a0000000140001052000003520508220084c44020010108000000100410800c00000046102a4408c3a010024643100a04000c7110c001290060000901000007202000806058051011b3240040662400249000c28052f0048820060001400c5940001208680500121c0041188006002510003104000084ff0821818060240082c0008191c0c12444214820008082000400084004110001890c00002000868017c25100ac00002894108401880421008c00210800100a40490003301800400141502800c010000020050200d0002040800030090104a10088100000000000351922000001020308042000e0100920052000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(������@(������@h�������@(������@(������@h�������@h��������(�������`�������(�������(�������(������@(������@(������@h�������@(������@h�������@h��������(�������`�������(�������`��������������(��� ��h���h���h���h��	h��
 
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���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:22:43Z</structure-indexed-at>
</compound>
