125910 <common-name>6,7-Dihydroxy-4-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one</common-name> <description>6,7-Dihydroxy-4-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one belongs to the lignan lactones, a class of lignans, neolignans and related compounds within the organic compounds. This compound has the chemical formula C21H22O7 and an average molecular weight of 386.40 g/mol. The substance is found in or released from 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with capacitors, batteries, cell phones, printed circuit boards, wires and cables, and one additional source. Within textiles, leather and furnishings, it is found in carpets, rugs, and synthetic textiles. It is also present in food packaging from the food, food processing and cookware sector, as well as in medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is found in lubricants used in both energy, oil and gas, and industrial manufacturing and chemical processing, along with one other sector. Recorded exposure routes for this compound include oral, inhalation, and touch.</description> <cas nil="true"/> <pubchem-id>69791988</pubchem-id> <chemical-formula>C21H22O7</chemical-formula> <weight>386.4</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">2026-04-06T09:35:35Z</created-at> <updated-at type="dateTime">2026-08-30T05:26:24Z</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>COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC(=C(C=C24)O)O)COC3=O</moldb-smiles> <moldb-formula>C21H22O7</moldb-formula> <moldb-inchi>InChI=1S/C21H22O7/c1-25-16-6-11(7-17(26-2)20(16)27-3)18-13-8-15(23)14(22)5-10(13)4-12-9-28-21(24)19(12)18/h5-8,12,18-19,22-23H,4,9H2,1-3H3</moldb-inchi> <moldb-inchikey>RINWQCSDWSZGDJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">386.136553</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</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>CHEM121803</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00116941</susdat-id> <iupac>6,7-dihydroxy-4-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-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>Lignans, neolignans and related compounds</superklass> <klass>Lignan lactones</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0172935</sync-id> <structure-inchikey>RINWQCSDWSZGDJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000000000400000000000000000110000400000002000000020000400000000000000000000000008400000000040000000000000000000000000440000000000000020800000000100000010010000000000100000010000800040000000100000000000020004000000000000000000101000000040000000040000000000000000000000000000000000080000000001000000000020000000000000080000000400000000044000000000100000000080000000000000012100000000000000000000000000000000000000000000000000000000000000000040000800000010000000000020000000000000000000</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�B���������������� ����������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:47:38Z</structure-indexed-at> </compound>