118875 <common-name>Roquefortine A</common-name> <description>Roquefortine A is a chemical compound with the formula $\text{C}_{18}\text{H}_{22}\text{N}_2\text{O}_2$ and an average molecular weight of 298.39 g/mol. Roquefortine A belongs to the clavines and derivatives, a subclass of ergoline and derivatives within the organic compounds. The compound is found in or released from 13 recorded sources spanning multiple sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other item. In the sector of textiles, leather and furnishings, it is found in synthetic textiles as well as carpets and rugs. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within healthcare, pharmaceuticals and veterinary products. Additionally, it is found in lubricants used in energy, oil and gas, as well as in industrial manufacturing and chemical processing, along with one more sector. Recorded routes of exposure for Roquefortine A include inhalation, oral, and touch.</description> <cas>58800-19-4</cas> <pubchem-id>101286186</pubchem-id> <chemical-formula>C18H22N2O2</chemical-formula> <weight nil="true"/> <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">2026-04-06T02:26:03Z</created-at> <updated-at type="dateTime">2026-05-21T02:14:59Z</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>[H][C@@]12CC3=CNC4=CC=CC(C1[C@H](OC(C)=O)[C@@H](C)CN2C)=C34</moldb-smiles> <moldb-formula>C18H22N2O2</moldb-formula> <moldb-inchi>InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15+,17+,18+/m0/s1</moldb-inchi> <moldb-inchikey>GJSSYQDXZLZOLR-QMHBMSAFSA-N</moldb-inchikey> <moldb-average-mass type="decimal">298.386</moldb-average-mass> <moldb-mono-mass type="decimal">298.1681279</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM114768</chemdb-id> <dsstox-id>DTXSID10891840</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00094912</susdat-id> <iupac nil="true"/> <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>Alkaloids and derivatives</superklass> <klass>Ergoline and derivatives</klass> <subklass>Clavines and derivatives</subklass> <paper-count type="integer">645</paper-count> <sync-id>CED0010103</sync-id> <structure-inchikey>GJSSYQDXZLZOLR-HQNFJNNYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000010000000000000000000000000000000000100000000000000000800040000002000000004000000000080008020000000000000020000000000100000000001000000000000000030000000000001000000000000000220100000000000000000000501011000040000000800200200200004000000400000000000000080000000000000400040000000000000000480000000000000000004000000000000000000000000000000000800000000000000000000000400000000000000200000001000000000000000000100041000000000400004002000000008010000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAGQAAAIABBiA0AAAAAgEEBgBgAAAA AgIGQCgAAAADBAZAaAAAAAMDAQdAOAAAAAMBAwZAKAAAAAMEBkBoAAAAAwMB BkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGAGAAAAADAQYgNAAAAAIBBAgA KAAAAAMCBgAoAAAAAwQGAGAAAAABAwgAKAAAAAMCBiA0AAAAAQEEBgBgAAAA AQMGAGAAAAACAgcAIAAAAAMGAGAAAAABAwZAKAAAAAMECwABAAECAAIDaAwD BGgMBAVoDAUGaAwGB2gMBwhoDAgJaAwJCgAKCwALDAAMDSANDgANDygCCxAA EBEAEBIAEhMAExQACRVoDAoAABMAABUCaAwVBWgMQgQAAAAGAQIVCQoABQMC FQUEBgYHCAkVBQYLEBITAAoXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:44:20Z</structure-indexed-at> </compound>