<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">332995</id>
  <title nil="true"/>
  <common-name>1-(dimethylamino)-3-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]propan-2-ol</common-name>
  <description>1-(dimethylamino)-3-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]propan-2-ol is a chemical compound with the formula C22H29NO3. It has an average molecular weight of 355.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3046428</pubchem-id>
  <chemical-formula>C22H29NO3</chemical-formula>
  <weight>355.5</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">2026-08-30T14:14:42Z</created-at>
  <updated-at type="dateTime">2026-08-30T14:14:42Z</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(CC(C2=C(O1)C=C(C=C2)OCC(CN(C)C)O)C3=CC=CC=C3)C</moldb-smiles>
  <moldb-formula>C22H29NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C22H29NO3/c1-22(2)13-20(16-8-6-5-7-9-16)19-11-10-18(12-21(19)26-22)25-15-17(24)14-23(3)4/h5-12,17,20,24H,13-15H2,1-4H3</moldb-inchi>
  <moldb-inchikey>YOKBJTBTRNPNDY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">355.2147438</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.7</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>CHEM328888</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-(dimethylamino)-3-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]propan-2-ol</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>Phenylpropanoids and polyketides</superklass>
  <klass>Neoflavonoids</klass>
  <subklass>Neoflavans</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0283492</sync-id>
  <structure-inchikey>YOKBJTBTRNPNDY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000000080000000020000000000000000000000800010000000000000000000000030000004000000000400004000000000000000000000000000000000000000000000000000000000000aa00001000100000200002000000000000020010000000000000000104000000000020000000000000000000020101001000048000200800044000000000000100000000100000000000000000021200000000000000000000000080800000000008004080000000000040000000000000000000000000000000000000001000000000000000000000200000000000000000000000000080040000000400000000000000000000000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>521000008132824081000b40812820400000140885072000003520448224094c5c020050138000000020410800c08000046102a5408d32010426643900a04010c6110c001280060000901040007202000804858051211f3240040722402051000c28052f0048820040208400d5b4000d2a8680502101e0041118220002514002504002084ef0820808060250082c0008391d88124600148a902008202140008000c310101090c00002000968017d25100ae000018941484010a0421008c00212a01000a40480003301808400151102800c010000021050000d0002000800030090504a10088180000000000b51122084001020309042840e0000110052000202</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`������@(������@(�������(������@h�������@(������@h�������@h��������(�������`�������`�������`������� ������`�������`�������`������@(������@h�������@h�������@h�������@h�������@h��������`��������������������h��� ��h���h��	h�	
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�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:35:09Z</structure-indexed-at>
</compound>
