316390 <common-name>7-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]-2,4-dimethyl-1,4-benzoxazin-3-one</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>6449473</pubchem-id> <chemical-formula>C19H17NO4</chemical-formula> <weight>323.3</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">2026-08-29T14:10:06Z</created-at> <updated-at type="dateTime">2026-08-29T14:10:06Z</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>CC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)O)C</moldb-smiles> <moldb-formula>C19H17NO4</moldb-formula> <moldb-inchi>InChI=1S/C19H17NO4/c1-12-19(23)20(2)16-9-6-14(11-18(16)24-12)17(22)10-5-13-3-7-15(21)8-4-13/h3-12,21H,1-2H3/b10-5+</moldb-inchi> <moldb-inchikey>KAGLCVWAMJWCFL-BJMVGYQFSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">323.115758</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM312283</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-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]-2,4-dimethyl-1,4-benzoxazin-3-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>Phenylpropanoids and polyketides</superklass> <klass>Linear 1,3-diarylpropanoids</klass> <subklass>Chalcones and dihydrochalcones</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0267229</sync-id> <structure-inchikey>KAGLCVWAMJWCFL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40800410000000000000000000000000000080000000000000000000000000000000000000000200000000002000000000400000000000000000000000000000000000000000000000000000000000000208000000002000000000000420000000000000100000010000000001200000000000001000000000000100000001000000000400000000200000020000040080000000000000000000000000000000041000c4000000000000000084000000000000000000000000000000000000000000000000000002000000000000000100000004000400000000200000020000000004000000000000040000000401440000000000000000000000000004000</structure-fingerprint> <structure-pattern-fingerprint>501000000932864081000b40012820000000150805056000003520408224084c4c220050128000004100410800c00000042000a5c08d7a010222e43100a04010c6110c00128006000090500000620a000856058051011b3240040562402259000c380527004882006a008400d5b40009208680500121e8047118220002710202506000184ef0820808060240882c0009391d8816444016820020282020c0808100c310001090c08002000968057d25100ac00000894108401080421008c00210801000e404d0003301c08444141502800c014000020050000d02020008000300d0504c100a8500000000040351922004001000309042800e0088138052000606</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�B������������� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:22:29Z</structure-indexed-at> </compound>