<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">314200</id>
  <title nil="true"/>
  <common-name>(1r,9r,10s,13r)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol</common-name>
  <description>(1r,9r,10s,13r)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol is a compound with the formula C18H25NO3. It has an average molecular weight of 303.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>5492870</pubchem-id>
  <chemical-formula>C18H25NO3</chemical-formula>
  <weight>303.4</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">2026-08-29T11:14:21Z</created-at>
  <updated-at type="dateTime">2026-08-29T11:14:21Z</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>CN1CCC23CC(CCC2(C1CC4=C3C=C(C=C4)OC)O)O</moldb-smiles>
  <moldb-formula>C18H25NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C18H25NO3/c1-19-8-7-17-11-13(20)5-6-18(17,21)16(19)9-12-3-4-14(22-2)10-15(12)17/h3-4,10,13,16,20-21H,5-9,11H2,1-2H3/t13-,16-,17-,18-/m1/s1</moldb-inchi>
  <moldb-inchikey>PJTRXTXJJAGLKK-BNEJOLLZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">303.1834437</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.7</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>CHEM310093</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>(1r,9r,10s,13r)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol</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>Benzenoids</superklass>
  <klass>Phenanthrenes and derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0265096</sync-id>
  <structure-inchikey>PJTRXTXJJAGLKK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000000010000000000000000000000200000000000000000000000000000000000000002000000000000000000000000020000000000000040000001200100200200000200000001040000010000000040000000100000000000020108000000000000000000100000000048000000000000000000004020200000004100000000080000400000000000090004000400008008080000000000000000000000028000000000000080000000000000000000000800000000000000000000000000000200800000000000000000000000000040000000000000000000000008080000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`������� ������`�������`�������`�������`������� ������`�������`������@(������@(������@h�������@(������@h�������@h��������(�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:20:40Z</structure-indexed-at>
</compound>
