<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">300262</id>
  <title nil="true"/>
  <common-name>8-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one</common-name>
  <description>8-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one belongs to the flavans, a subclass of flavonoids within the organic compounds. This phenylpropanoid and polyketide has the formula C16H13ClO5 and an average molecular weight of 320.72 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>14779471</pubchem-id>
  <chemical-formula>C16H13ClO5</chemical-formula>
  <weight>320.72</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">2026-08-28T17:06:16Z</created-at>
  <updated-at type="dateTime">2026-08-28T17:06:16Z</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>CC1C(OC2=C(C1=O)C(=CC(=C2Cl)O)O)C3=CC=C(C=C3)O</moldb-smiles>
  <moldb-formula>C16H13ClO5</moldb-formula>
  <moldb-inchi>InChI=1S/C16H13ClO5/c1-7-14(21)12-10(19)6-11(20)13(17)16(12)22-15(7)8-2-4-9(18)5-3-8/h2-7,15,18-20H,1H3</moldb-inchi>
  <moldb-inchikey>ZOHPKYIJNNAJAJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">320.0451512</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM296155</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-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-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>Phenylpropanoids and polyketides</superklass>
  <klass>Flavonoids</klass>
  <subklass>Flavans</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0251539</sync-id>
  <structure-inchikey>ZOHPKYIJNNAJAJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000200000000000000000000000000000020000400000000000000000000000004000000000000000000000a0800000000000000080000042100000000002010000000000000000100000000000000000000000000000000010100000000040000000800000000040000000000000000000000000000000000001000200044000000000000000080000000000000000020000000000000000000000000000000000002100000000000000000010000000000000001200000020000010000000000000000040000000000000020000000000000000010000000200</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�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:10:22Z</structure-indexed-at>
</compound>
