350606 <common-name>5-(1,3,3-trimethylindol-1-ium-2-yl)-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]penta-2,4-dienoic acid</common-name> <description>5-(1,3,3-trimethylindol-1-ium-2-yl)-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]penta-2,4-dienoic acid is a compound with the formula C30H33N2O2+. It has an average molecular weight of 453.60 g/mol.</description> <cas nil="true"/> <pubchem-id>155895833</pubchem-id> <chemical-formula>C30H33N2O2+</chemical-formula> <weight>453.6</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">2026-08-31T15:46:34Z</created-at> <updated-at type="dateTime">2026-08-31T15:46:34Z</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(C2=CC=CC=C2[N+](=C1C=CC=C(C=CC=C3C(C4=CC=CC=C4N3C)(C)C)C(=O)O)C)C</moldb-smiles> <moldb-formula>C30H33N2O2+</moldb-formula> <moldb-inchi>InChI=1S/C30H32N2O2/c1-29(2)22-15-7-9-17-24(22)31(5)26(29)19-11-13-21(28(33)34)14-12-20-27-30(3,4)23-16-8-10-18-25(23)32(27)6/h7-20H,1-6H3/p+1</moldb-inchi> <moldb-inchikey>TUPXIMBFELVVTC-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">453.2542033</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.2</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>CHEM346499</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>5-(1,3,3-trimethylindol-1-ium-2-yl)-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]penta-2,4-dienoic acid</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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0300911</sync-id> <structure-inchikey>TUPXIMBFELVVTC-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>1000000000000000800000000000000002000000000000080000000000000000000000000000000000000000004000000000080020001000000000000000000000000000000000000000000000020000040000200000000000000000002000000090000001000002000000020041000000100002000000010200004000000000848000020800000000000004000000000000100000000000000000021001100000100000000000200080000000000000000000800000400000000000000000000000028000008000000010000000000000000000000000200000000000000000008001000000440000000000400000000100000080000000400000000</structure-fingerprint> 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