336095 <common-name>7-methyl-1,3-bis(prop-2-enyl)-8-[(e)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione</common-name> <description>7-methyl-1,3-bis(prop-2-enyl)-8-[(e)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione is a compound with the chemical formula C23H26N4O5. It has an average molecular weight of 438.50 g/mol.</description> <cas>142665-36-9</cas> <pubchem-id>6448605</pubchem-id> <chemical-formula>C23H26N4O5</chemical-formula> <weight>438.5</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">2026-08-30T18:24:31Z</created-at> <updated-at type="dateTime">2026-08-30T18:24:31Z</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>CN1C(=NC2=C1C(=O)N(C(=O)N2CC=C)CC=C)C=CC3=CC(=C(C(=C3)OC)OC)OC</moldb-smiles> <moldb-formula>C23H26N4O5</moldb-formula> <moldb-inchi>InChI=1S/C23H26N4O5/c1-7-11-26-21-19(22(28)27(12-8-2)23(26)29)25(3)18(24-21)10-9-15-13-16(30-4)20(32-6)17(14-15)31-5/h7-10,13-14H,1-2,11-12H2,3-6H3/b10-9+</moldb-inchi> <moldb-inchikey>PKXGLVDAOOCYSL-MDZDMXLPSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">438.1903199</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM331988</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>7-methyl-1,3-bis(prop-2-enyl)-8-[(e)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-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>Organoheterocyclic compounds</superklass> <klass>Imidazopyrimidines</klass> <subklass>Purines and purine derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0286558</sync-id> <structure-inchikey>PKXGLVDAOOCYSL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000200000000000000000000000000000000400000002000000020000400000080002000000800000000000000000000000080001000000400080000800000000000000020000000000300000000000000000010000000200000001040000000100000000000000108000000000010000000000000000040000000000000000004204000000000080000000000000000000000000000000000000000000200280000000000000080000000080000010000000084000000000000010080000000040000000000008000000000000000000000000000000808000001000040000800000000000000000020000000000000004000</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�B������������� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:37:37Z</structure-indexed-at> </compound>