<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">291326</id>
  <title nil="true"/>
  <common-name>6-methoxy-1,9-dimethylpyrido[3,4-b]indole</common-name>
  <description>6-methoxy-1,9-dimethylpyrido[3,4-b]indole belongs to the harmala alkaloids, a class of alkaloids and derivatives within the organic compounds. This compound has the chemical formula C14H14N2O and an average molecular weight of 226.27 g/mol.</description>
  <cas>22574-29-4</cas>
  <pubchem-id>211174</pubchem-id>
  <chemical-formula>C14H14N2O</chemical-formula>
  <weight>226.27</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">2026-08-28T05:58:12Z</created-at>
  <updated-at type="dateTime">2026-08-28T05:58:12Z</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=NC=CC2=C1N(C3=C2C=C(C=C3)OC)C</moldb-smiles>
  <moldb-formula>C14H14N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C14H14N2O/c1-9-14-11(6-7-15-9)12-8-10(17-3)4-5-13(12)16(14)2/h4-8H,1-3H3</moldb-inchi>
  <moldb-inchikey>AJSYZGYPCGTQSU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">226.1106131</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.6</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>CHEM287219</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>6-methoxy-1,9-dimethylpyrido[3,4-b]indole</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>Alkaloids and derivatives</superklass>
  <klass>Harmala alkaloids</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0242900</sync-id>
  <structure-inchikey>AJSYZGYPCGTQSU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200400400084000000800000000000000000000000000000000000000000000000000000000200000020000002000000000000000000000000000000000000000000000080000000000000000000400000000000100000200000000000000041000000000000040000000100000000000000100000000000000000000000000000040000000000000000000004000000000000000000000000000000000000000000000000000040000080000000000000080080000000000000000000080000000000000000000000000000000000000000000002200000200000000000000000000000000002040000000001000000000000008000000000004000008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@h�������@h�������@(������@(������@(������@(������@(������@h�������@(������@h�������@h��������(�������`�������`�����������h���h���h���h���h���h���h��	h�	
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�h���h��h��� ��������h�	�h��h�B���������������	��
���	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:03:43Z</structure-indexed-at>
</compound>
