342972 <common-name>4-[[3-[(3e)-4,8-dimethylnona-3,7-dienyl]-3-methyloxiran-2-yl]methyl]-2-methyl-1-oxidoquinolin-1-ium-3-ol</common-name> <description>4-[[3-[(3e)-4,8-dimethylnona-3,7-dienyl]-3-methyloxiran-2-yl]methyl]-2-methyl-1-oxidoquinolin-1-ium-3-ol is a compound with the formula C25H33NO3. It has an average molecular weight of 395.50 g/mol.</description> <cas nil="true"/> <pubchem-id>122706081</pubchem-id> <chemical-formula>C25H33NO3</chemical-formula> <weight>395.5</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">2026-08-31T04:12:00Z</created-at> <updated-at type="dateTime">2026-08-31T04:12:00Z</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=[N+](C2=CC=CC=C2C(=C1O)CC3C(O3)(C)CCC=C(C)CCC=C(C)C)[O-]</moldb-smiles> <moldb-formula>C25H33NO3</moldb-formula> <moldb-inchi>InChI=1S/C25H33NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5)23(29-25)16-21-20-13-6-7-14-22(20)26(28)19(4)24(21)27/h6-7,10,12-14,23,27H,8-9,11,15-16H2,1-5H3/b18-12+</moldb-inchi> <moldb-inchikey>BXVJMAHFHWAYHD-LDADJPATSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">395.2460439</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.6</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>CHEM338865</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>4-[[3-[(3e)-4,8-dimethylnona-3,7-dienyl]-3-methyloxiran-2-yl]methyl]-2-methyl-1-oxidoquinolin-1-ium-3-ol</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>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass>Hydroxyquinolines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0293355</sync-id> <structure-inchikey>BXVJMAHFHWAYHD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800004000000000000000000000000200000002400000000000000000000000001000400000040004000000400208021000100000000000000000000000000000000080000000000800020000200001000000008000000001012010000000000000000000000000000020000000000000100000000500000000048020000800000000000000000000000000100004000000000400020000000002000800000040000180000000000000000004000000000000000000000000008060204002000000000000000000000000000202000000200000000000000000000000000000040000000000000000000000000008000000000002000</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�� �B������ ������������ �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:42:28Z</structure-indexed-at> </compound>