315998 <common-name>1-[(e)-but-2-en-2-yl]-2,8-dichloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one</common-name> <description>1-[(e)-but-2-en-2-yl]-2,8-dichloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one is a chemical compound with the formula C19H16Cl2O5. It has an average molecular weight of 395.20 g/mol.</description> <cas nil="true"/> <pubchem-id>71494413</pubchem-id> <chemical-formula>C19H16Cl2O5</chemical-formula> <weight>395.2</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">2026-08-29T13:34:41Z</created-at> <updated-at type="dateTime">2026-08-29T13:34:41Z</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)C1=C(C(=C(C2=C1OC3=C(C(=C(C(=C3)O)Cl)C)C(=O)O2)C)O)Cl</moldb-smiles> <moldb-formula>C19H16Cl2O5</moldb-formula> <moldb-inchi>InChI=1S/C19H16Cl2O5/c1-5-7(2)12-15(21)16(23)9(4)17-18(12)25-11-6-10(22)14(20)8(3)13(11)19(24)26-17/h5-6,22-23H,1-4H3/b7-5+</moldb-inchi> <moldb-inchikey>FCMYLROGVKJIDN-FNORWQNLSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">394.037479</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.8</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>CHEM311891</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-[(e)-but-2-en-2-yl]-2,8-dichloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-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>Depsides and depsidones</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0266841</sync-id> <structure-inchikey>FCMYLROGVKJIDN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000080000200020000020000800400000000000000000000000000000000000000200000000000000400000202800000000000020800000000200000000000000000000000000010000000008002000100000000000000000000000000000000010400000000040000000800000000140000000000000000000000000000000000000000200000000000000000000080000000000000000000000000000000010000000000000000000002100000000000000400010008000002000001000010000c00000200000000000000040000000400001000000000000008000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAHAAAAIABBgBgAAAAAQMGAGgAAAAD AwEGACgAAAADBAYAYAAAAAEDBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMEBkAo AAAAAwQGQCgAAAADBAZAKAAAAAMECAAoAAAAAwIGQCgAAAADBAZAKAAAAAME BkAoAAAAAwQGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBCABoAAAAAwEBEQAg AAAAAQYAYAAAAAEDBgAoAAAAAwQIACgAAAADAggAKAAAAAMCBgBgAAAAAQMI AGgAAAADAQERACAAAAABCwABAAECKAICAwACBCAEBWgMBQZoDAYHaAwHCGgM CAloDAkKIAoLIAsMaAwMDWgMDQ5oDA4PaAwPEGgMDxEgDhIADRMADBQgFBUo AhQWIAcXAAYYIAUZAAkEaAwWCCAQC2gMQgMAAAAGBAkIBwYFBwoJCBYUDAsG DQ4PEAsMFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:22:09Z</structure-indexed-at> </compound>