<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">74653</id>
  <title nil="true"/>
  <common-name>5,7,8,15-Tetrahydro-4-hydroxy-3-methoxy-6-methyl(1,3)benzodioxolo(5,6-e)(2)benzazecin-14(6H)-one</common-name>
  <description>5,7,8,15-Tetrahydro-4-hydroxy-3-methoxy-6-methyl(1,3)benzodioxolo(5,6-e)(2)benzazecin-14(6H)-one belongs to the protopine alkaloids, a class of alkaloids and derivatives within the organic compounds. This compound has the formula C20H21N1O5 and an average molecular weight of 355.39 g/mol.</description>
  <cas>490-52-8</cas>
  <pubchem-id>1275589</pubchem-id>
  <chemical-formula>C20H21N1O5</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-04T02:07:24Z</created-at>
  <updated-at type="dateTime">2026-04-04T02:07:24Z</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>COC1=C(O)C2=C(CC(=O)C3=CC4=C(OCO4)C=C3CCN(C)C2)C=C1</moldb-smiles>
  <moldb-formula>C20H21N1O5</moldb-formula>
  <moldb-inchi>InChI=1S/C20H21NO5/c1-21-6-5-13-8-18-19(26-11-25-18)9-14(13)16(22)7-12-3-4-17(24-2)20(23)15(12)10-21/h3-4,8-9,23H,5-7,10-11H2,1-2H3</moldb-inchi>
  <moldb-inchikey>RSMSJQDBPYSXHH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">355.39</moldb-average-mass>
  <moldb-mono-mass type="decimal">355.141973</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>1070552</chemspider-id>
  <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>CHEM070546</chemdb-id>
  <dsstox-id>DTXSID90197655</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00031848</susdat-id>
  <iupac nil="true"/>
  <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>Protopine alkaloids</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0145638</sync-id>
  <structure-inchikey>RSMSJQDBPYSXHH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000000000200000000000000000000000000210000000020400000000000000020000000008040000000000000000000400000000000000000000000000000000000000000000000000020800000000100000000002001000000020000010000000040000000100000000000820100000000000000080000000000080040200000000000000008004000000000000000000200080000000000000000000000000004000000080200000000000000000000008000000000000080000408000000002000000000010000000000000000000000200200000000000080000000000000030040008000400000000020000020080000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@(�������h�������@(������@(�������`�������(�������(������@(������@h�������@(������@(�������(�������`�������(������@h�������@(�������`�������`������� ������`�������`������@h�������@h������������ ��h��� ��h���h��������	(��
 
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  <structure-indexed-at type="dateTime">2026-09-19T04:23:05Z</structure-indexed-at>
</compound>
