<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">345184</id>
  <title nil="true"/>
  <common-name>3-[[(6ar,9r)-4-tert-butyl-10a-methoxy-7-methyl-6a,8,9,10-tetrahydro-6h-indolo[4,3-fg]quinolin-9-yl]methoxy]cyclopent-2-en-1-one</common-name>
  <description>3-[[(6ar,9r)-4-tert-butyl-10a-methoxy-7-methyl-6a,8,9,10-tetrahydro-6h-indolo[4,3-fg]quinolin-9-yl]methoxy]cyclopent-2-en-1-one is a chemical compound with the formula C26H34N2O3. It has an average molecular weight of 422.60 g/mol.</description>
  <cas>113702-04-8</cas>
  <pubchem-id>3087267</pubchem-id>
  <chemical-formula>C26H34N2O3</chemical-formula>
  <weight>422.6</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">2026-08-31T07:40:00Z</created-at>
  <updated-at type="dateTime">2026-08-31T07:40:00Z</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>CC(C)(C)N1C=C2CC3C(CC(CN3C)COC4=CC(=O)CC4)(C5=C2C1=CC=C5)OC</moldb-smiles>
  <moldb-formula>C26H34N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C26H34N2O3/c1-25(2,3)28-15-18-11-23-26(30-5,21-7-6-8-22(28)24(18)21)13-17(14-27(23)4)16-31-20-10-9-19(29)12-20/h6-8,12,15,17,23H,9-11,13-14,16H2,1-5H3/t17-,23-,26?/m1/s1</moldb-inchi>
  <moldb-inchikey>QCALDAVQGVOCOV-ALKJAXCESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">422.256943</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM341077</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>3-[[(6ar,9r)-4-tert-butyl-10a-methoxy-7-methyl-6a,8,9,10-tetrahydro-6h-indolo[4,3-fg]quinolin-9-yl]methoxy]cyclopent-2-en-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>Organoheterocyclic compounds</superklass>
  <klass>Quinolines and derivatives</klass>
  <subklass>Indoloquinolines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0295544</sync-id>
  <structure-inchikey>QCALDAVQGVOCOV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>c0004000000008820000020000000000000000000000000000100200000000000000000201000000000000000008000800080000000008000020000000000000000000000000000400000000000e0000001000100000000001000000000000000000100002040000000080001000000020104000080000000000000110001000048000000800000200000804000000000000000000000080000400000840000000000000000000000080000000000000000580800000000000000000000000000004000000000000000010000000000000000000000200202800000000000000000000000000040000000000000002000002000088000000000400000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAfAAAAIwAAAIABBgBgAAAAAQMGACAAAAAE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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:44:18Z</structure-indexed-at>
</compound>
