326324 <common-name>[2,6-dihydroxy-4-methoxy-3-[(e)-3-phenylprop-2-enoyl]phenyl] (z)-2-methylbut-2-enoate</common-name> <description>[2,6-dihydroxy-4-methoxy-3-[(e)-3-phenylprop-2-enoyl]phenyl] (z)-2-methylbut-2-enoate is a chemical compound with the formula C21H20O6. It has an average molecular weight of 368.40 g/mol.</description> <cas>116988-10-4</cas> <pubchem-id>42607628</pubchem-id> <chemical-formula>C21H20O6</chemical-formula> <weight>368.4</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">2026-08-30T04:31:28Z</created-at> <updated-at type="dateTime">2026-08-30T04:31:28Z</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(C)C(=O)OC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=CC=C2)O</moldb-smiles> <moldb-formula>C21H20O6</moldb-formula> <moldb-inchi>InChI=1S/C21H20O6/c1-4-13(2)21(25)27-20-16(23)12-17(26-3)18(19(20)24)15(22)11-10-14-8-6-5-7-9-14/h4-12,23-24H,1-3H3/b11-10+,13-4-</moldb-inchi> <moldb-inchikey>ZQUOUZKTJWTBQE-VVWRKKLTSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">368.1259884</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</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>CHEM322217</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>[2,6-dihydroxy-4-methoxy-3-[(e)-3-phenylprop-2-enoyl]phenyl] (z)-2-methylbut-2-enoate</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>CED0276945</sync-id> <structure-inchikey>ZQUOUZKTJWTBQE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000000000000000000000000000200080000000400002000000000000000400000000000004000000000000000000000000000000000000000000000000200000000010000020000000004300000000800000000000000000010000001048000000120000000000000000000000000000000000400000000040000000802000000000000000000000000100000000000000000000000000080000000020400080080000000000000000000010000000000000000080000000000000002140000004000000100000040000100040000200000000000000004000000000000040000000000400000000000020000000000000004000</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�B�������� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:29:59Z</structure-indexed-at> </compound>