22279 <common-name>Tetrahydrodemethoxycurcumin</common-name> <description nil="true"/> <cas></cas> <pubchem-id>9906039</pubchem-id> <chemical-formula>C20H22O5</chemical-formula> <weight nil="true"/> <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">2016-05-25T03:01:26Z</created-at> <updated-at type="dateTime">2026-04-03T14:54:43Z</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>COC1=C(O)C=CC(CCC(=O)CC(=O)CCC2=CC=C(O)C=C2)=C1</moldb-smiles> <moldb-formula>C20H22O5</moldb-formula> <moldb-inchi>InChI=1S/C20H22O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-3,6-8,11-12,21,24H,4-5,9-10,13H2,1H3</moldb-inchi> <moldb-inchikey>HJFYFYWETUVIHT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">342.391</moldb-average-mass> <moldb-mono-mass type="decimal">342.146723808</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8081692</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>CHEM021174</chemdb-id> <dsstox-id>DTXSID30164341</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024893</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>83.83</moldb-polar-surface-area> <moldb-refractivity>95.16079999999997</moldb-refractivity> <moldb-polarizability>36.78776007190368</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>9.168657886783018</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.889963169358053</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.60</moldb-alogps-logp> <moldb-alogps-logs>-4.80</moldb-alogps-logs> <moldb-alogps-solubility>5.42e-03 g/l</moldb-alogps-solubility> </compound>