<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4948</id>
  <title>T3D4893</title>
  <common-name>5,7-Dihydroxyflavone</common-name>
  <description>5,7-Dihydroxyflavone is found in carrot. Chrysin is a naturally occurring flavone chemically extracted from the blue passion flower (Passiflora caerulea). Honeycomb also contains small amounts. It is also reported in Oroxylum indicum or Indian trumpetflower. (Wikipedia).</description>
  <cas>480-40-0</cas>
  <pubchem-id>5281607</pubchem-id>
  <chemical-formula>C15H10O4</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <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></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T05:21:10Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:51:58Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/Chrysin</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C10028</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id>C043561</ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id>DB15581</drugbank-id>
  <pdb-id>57D</pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C15H10O4</moldb-formula>
  <moldb-inchi>InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H</moldb-inchi>
  <moldb-inchikey>RTIXKCRFFJGDFG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">254.2375</moldb-average-mass>
  <moldb-mono-mass type="decimal">254.057908808</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>3.01</logp>
  <hmdb-id>HMDB36619</hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>4444926</chemspider-id>
  <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>CHEM003849</chemdb-id>
  <dsstox-id>DTXSID1022396</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>5,7-dihydroxy-2-phenyl-4H-chromen-4-one</iupac>
  <moldb-polar-surface-area>66.76</moldb-polar-surface-area>
  <moldb-refractivity>70.933</moldb-refractivity>
  <moldb-polarizability>25.72774514973364</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>6.637868205362397</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-5.174527093098605</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>3.44</moldb-alogps-logp>
  <moldb-alogps-logs>-3.38</moldb-alogps-logs>
  <moldb-alogps-solubility>1.05e-01 g/l</moldb-alogps-solubility>
</compound>
