199409 <common-name>(12s)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one</common-name> <description>(12s)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one belongs to the proaporphines, a class of alkaloids and derivatives within the organic compounds. This compound has the formula C18H17NO3 and an average molecular weight of 295.30 g/mol.</description> <cas nil="true"/> <pubchem-id>121336</pubchem-id> <chemical-formula>C18H17NO3</chemical-formula> <weight>295.3</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">2026-08-19T23:42:35Z</created-at> <updated-at type="dateTime">2026-08-29T07:47:55Z</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>CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3</moldb-smiles> <moldb-formula>C18H17NO3</moldb-formula> <moldb-inchi>InChI=1S/C18H17NO3/c1-19-7-4-11-8-14-17(22-10-21-14)16-15(11)13(19)9-18(16)5-2-12(20)3-6-18/h2-3,5-6,8,13H,4,7,9-10H2,1H3/t13-/m0/s1</moldb-inchi> <moldb-inchikey>NMVDXQMYKKNYFO-ZDUSSCGKSA-N</moldb-inchikey> <moldb-average-mass type="decimal">295.3</moldb-average-mass> <moldb-mono-mass type="decimal">295.1208434</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM195302</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>(12S)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-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>Alkaloids and derivatives</superklass> <klass>Proaporphines</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0185307</sync-id> <structure-inchikey>NMVDXQMYKKNYFO-ZDUSSCGKSA-N</structure-inchikey> <structure-fingerprint>10000000000000000000000000000080000000000400000004000000000000000000020000000000000000000000000000000400000000002000000010000001000000000000000000000000020800021000000010000010000000010001000000000000000000000100000000000020100800001000000000000100001000048000000000000000008004000000000000000000000080000000000000200008000000004000000080080000000000000040000008000000000000000000000000000000000000000008000000000000000000000200000000000000090000000000000010040008000400000000000000000000000000014000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAGgAAAIABBgBgAAAAAQMHACAAAAAD BgBgAAAAAgIGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgA AAADBAZAKAAAAAMEBkAoAAAAAwQGIDQAAAACAQQGAGAAAAACAgYAIAAAAAQG AGgAAAADAwEGAGgAAAADAwEGACgAAAADBAgAKAAAAAMCBgBoAAAAAwMBBgBo AAAAAwMBCAAoAAAAAwIGAGAAAAACAggAKAAAAAMCCwABAAECAAIDAAMEAAQF aAwFBmgMBgdoDAcIaAwICWgMCQoACgsACwwADA0ADQ4oAg4PIA8QKAIPESAR EigCBxMgExQAFBUACgEACQRoDBUGIAwIABIMAEIFAAAABgEKCQQDAgYFBgcI CQQFCwoJCAwGDQ4PERIMBRMHBhUUFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:52:41Z</structure-indexed-at> </compound>