<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">287737</id>
  <title nil="true"/>
  <common-name>8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3050900</pubchem-id>
  <chemical-formula>C13H15NO3</chemical-formula>
  <weight>233.26</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">2026-08-28T00:16:56Z</created-at>
  <updated-at type="dateTime">2026-08-28T00:16:56Z</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=C(OC2=C(C1=O)C=CC(=C2CN)OC)C</moldb-smiles>
  <moldb-formula>C13H15NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C13H15NO3/c1-7-8(2)17-13-9(12(7)15)4-5-11(16-3)10(13)6-14/h4-5H,6,14H2,1-3H3</moldb-inchi>
  <moldb-inchikey>SUSMRUPDOFTSQX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">233.1051933</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.4</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>CHEM283630</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>8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-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>Benzopyrans</klass>
  <subklass>1-benzopyrans</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0239514</sync-id>
  <structure-inchikey>SUSMRUPDOFTSQX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800200000000040000000000000000000000000000480000000000000020000000000000000000000000000000000000000200000000000400000000000000000000000000000020800000000100000000000000000000000000000000001040000000000000000000800000000000000400000000000000000040000000000000000000000000001000000000000000000000000000800000000000000000040000080800000400000000000000000000000000000080000000000000000800000000000000100000200800002004000a00000000000000000000000000000840000000000000000000000020000000000000002000</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�B�������������	
�������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:01:00Z</structure-indexed-at>
</compound>
