<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">317881</id>
  <title nil="true"/>
  <common-name>(2z)-2-[3-(methylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6,10-diol</common-name>
  <description>(2z)-2-[3-(methylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6,10-diol is a chemical compound with the formula C19H21NO2. It has an average molecular weight of 295.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>122196585</pubchem-id>
  <chemical-formula>C19H21NO2</chemical-formula>
  <weight>295.4</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">2026-08-29T16:04:55Z</created-at>
  <updated-at type="dateTime">2026-08-29T16:04:55Z</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>CNCCC=C1C2=C(CC(C3=CC=CC=C31)O)C=C(C=C2)O</moldb-smiles>
  <moldb-formula>C19H21NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C19H21NO2/c1-20-10-4-7-16-15-9-8-14(21)11-13(15)12-19(22)18-6-3-2-5-17(16)18/h2-3,5-9,11,19-22H,4,10,12H2,1H3/b16-7-</moldb-inchi>
  <moldb-inchikey>AVWDSLYNHVKVAE-APSNUPSMSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">295.1572289</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</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>CHEM313774</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>(2z)-2-[3-(methylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6,10-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>Dibenzocycloheptenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0268693</sync-id>
  <structure-inchikey>AVWDSLYNHVKVAE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000080000080000000020000000000000000000000000001000000000000000000000000000000a000180400004000000000000000000200000000000000000000400000000000000000000000001000800200000000000040000020000000010000000000000000100000000000220000000000000080000400101000000040000000800000008000000080000000000100000000080000400000000000004000000000000000080000000000020000000000000000000000000000000000000000002000000040000000000000000800000000020200000000000000000000000000000040000000000000000000000000000010000000000000</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�����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:23:34Z</structure-indexed-at>
</compound>
