<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">319807</id>
  <title nil="true"/>
  <common-name>9-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-3,4,6,7-tetrahydro-2h-furo[3,2-g]chromen-5-ol</common-name>
  <description>9-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-3,4,6,7-tetrahydro-2h-furo[3,2-g]chromen-5-ol is a chemical compound with the formula C19H29NO5. It has an average molecular weight of 351.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>45698</pubchem-id>
  <chemical-formula>C19H29NO5</chemical-formula>
  <weight>351.4</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">2026-08-29T18:31:04Z</created-at>
  <updated-at type="dateTime">2026-08-29T18:31:04Z</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>CC1CC2=C(O1)C(=C3C(=C(CCO3)O)C2)OCC(CNC(C)(C)C)O</moldb-smiles>
  <moldb-formula>C19H29NO5</moldb-formula>
  <moldb-inchi>InChI=1S/C19H29NO5/c1-11-7-12-8-14-15(22)5-6-23-17(14)18(16(12)25-11)24-10-13(21)9-20-19(2,3)4/h11,13,20-22H,5-10H2,1-4H3</moldb-inchi>
  <moldb-inchikey>FNZSENKPMLMPDI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">351.204573</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.6</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>CHEM315700</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>9-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-3,4,6,7-tetrahydro-2h-furo[3,2-g]chromen-5-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>Organoheterocyclic compounds</superklass>
  <klass>Pyrans</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0270573</sync-id>
  <structure-inchikey>FNZSENKPMLMPDI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000010000000000000804000042200000000000000000000020000110000000000000000000000000000000000000000800040000200400000000000000000000000000000000000000012000000000000a00000010100000000000002000000000000010000800010000000000000000000020000020000000000000000100000000040010000800000000044000080000000000000000000000000000000000000040000000080000000080000004000000000080010001000000000800000000008002000002200000000000000000000000080012000200000000000000010000000000000000000000000000000000000000004000000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������(�������(�������(�������(�������(�������(�������(�������`�������`�������(�������h��������`�������(�������`�������`�������`�������`������� ������`�������`�������`�������`�����������������(��� �� ��(��� �	(�	
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��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:25:06Z</structure-indexed-at>
</compound>
