<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">333417</id>
  <title nil="true"/>
  <common-name>1-[2-(2,2-dimethyl-6-pentylchromen-7-yl)oxyethyl]pyrrolidine</common-name>
  <description>1-[2-(2,2-dimethyl-6-pentylchromen-7-yl)oxyethyl]pyrrolidine is a compound with the formula C22H33NO2. It has an average molecular weight of 343.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3045468</pubchem-id>
  <chemical-formula>C22H33NO2</chemical-formula>
  <weight>343.5</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">2026-08-30T14:48:48Z</created-at>
  <updated-at type="dateTime">2026-08-30T14:48:48Z</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>CCCCCC1=C(C=C2C(=C1)C=CC(O2)(C)C)OCCN3CCCC3</moldb-smiles>
  <moldb-formula>C22H33NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H33NO2/c1-4-5-6-9-18-16-19-10-11-22(2,3)25-21(19)17-20(18)24-15-14-23-12-7-8-13-23/h10-11,16-17H,4-9,12-15H2,1-3H3</moldb-inchi>
  <moldb-inchikey>CDORBZQATLEVBO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">343.2511293</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.8</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>CHEM329310</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>1-[2-(2,2-dimethyl-6-pentylchromen-7-yl)oxyethyl]pyrrolidine</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>CED0283900</sync-id>
  <structure-inchikey>CDORBZQATLEVBO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>204000000000c0000008000000000000000000000000000000008000000000000000000020000000000000000000000000000000000000000000000000000000000040010000000000100000000000000008000000001000000000000000000000010200000000008000000001000200000000a010000000000000000000000080000004800000000000000000000600000000080000000000000100000002020000000000000002400000008000000000200000888000000a000000002010000000000000000000000000000000000000000000000000000000000000001010000000000800000000040000000410000000000000020000002000000000000</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-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:35:33Z</structure-indexed-at>
</compound>
