<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">336487</id>
  <title nil="true"/>
  <common-name>3-[[(6ar,9r)-10a-methoxy-4,7-dimethyl-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)-10a-methoxy-4,7-dimethyl-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 C23H28N2O3. It has an average molecular weight of 380.50 g/mol.</description>
  <cas>79675-27-7</cas>
  <pubchem-id>3061722</pubchem-id>
  <chemical-formula>C23H28N2O3</chemical-formula>
  <weight>380.5</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">2026-08-30T18:59:42Z</created-at>
  <updated-at type="dateTime">2026-08-30T18:59:42Z</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>CN1CC(CC2(C1CC3=CN(C4=CC=CC2=C34)C)OC)COC5=CC(=O)CC5</moldb-smiles>
  <moldb-formula>C23H28N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C23H28N2O3/c1-24-13-16-9-21-23(27-3,19-5-4-6-20(24)22(16)19)11-15(12-25(21)2)14-28-18-8-7-17(26)10-18/h4-6,10,13,15,21H,7-9,11-12,14H2,1-3H3/t15-,21-,23?/m1/s1</moldb-inchi>
  <moldb-inchikey>YBBZKYPNKRHJSA-FLSDUMPPSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">380.2099928</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>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>CHEM332380</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)-10a-methoxy-4,7-dimethyl-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>CED0286948</sync-id>
  <structure-inchikey>YBBZKYPNKRHJSA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>c0004000000008820000000000000000000000000000000000100200000000000000000201000000000000000000000000088000000008000020000010000000000000000000000400000000000e0000001000100000000001000000000000000000100002040000000080001000000020104000080000000000000110001000048000000800000200000804000000000000000000000080000000000840000000000000000000000080000004008000000580800000000000000000000000000004000000000000000000000000000000000000000200200800000000000000000000000000040000000000000000000002000088000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�������������������� ���€���`������� ������`�������`�������`������� ������`�������`������@(������@h�������@(������@(������@h�������@h�������@h�������@(������@(�������`������� ������`�������`�������(�������(�������h��������(�������(�������`�������`�������������������������������	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:37:53Z</structure-indexed-at>
</compound>
