327156 <common-name>6-[(3e,5e)-3,5-dimethyl-6-(4-nitrophenyl)hexa-3,5-dienyl]-4-hydroxy-3,5-dimethylpyran-2-one</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>89138209</pubchem-id> <chemical-formula>C21H23NO5</chemical-formula> <weight>369.4</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">2026-08-30T06:00:11Z</created-at> <updated-at type="dateTime">2026-08-30T06:00:11Z</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>CC1=C(OC(=O)C(=C1O)C)CCC(=CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C)C</moldb-smiles> <moldb-formula>C21H23NO5</moldb-formula> <moldb-inchi>InChI=1S/C21H23NO5/c1-13(5-10-19-15(3)20(23)16(4)21(24)27-19)11-14(2)12-17-6-8-18(9-7-17)22(25)26/h6-9,11-12,23H,5,10H2,1-4H3/b13-11+,14-12+</moldb-inchi> <moldb-inchikey>UERDCRYIPVUCBM-PHEQNACWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">369.1576228</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM323049</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>6-[(3e,5e)-3,5-dimethyl-6-(4-nitrophenyl)hexa-3,5-dienyl]-4-hydroxy-3,5-dimethylpyran-2-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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Nitrobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0277768</sync-id> <structure-inchikey>UERDCRYIPVUCBM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>410000000000008000000000000000000000000000002000000000000800000000000000200000000000000180000000000000000000000000000000001000000000000000000000000000000000208000000002000010000000004000c0000000010002000220000000000000000000000000000000000000000000400000000040010200000000008000000000000000001000000000001000000020000000000000000000000000080000000000000000000008000000000000000000000008002000002800000000008000000020001000202000022200000000000000420000000000000040000000000000000000001000000000000020004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@(�������(������@(������@(�������h��������`�������`�������`�������(�������h��������(�������h�������@(������@h�������@h�������@(������@h�������@h������� *��������(������ *���ÿ����`�������`�����������h���h���h���(���h���h��� � �� � ������ (� � ��(��� ��h���h���h���h���h��� ��(��� ��������h���h�B����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:35Z</structure-indexed-at> </compound>