106401 <common-name>Alvocidib</common-name> <description nil="true"/> <cas>146426-40-6</cas> <pubchem-id>5287969</pubchem-id> <chemical-formula>C21H20ClNO5</chemical-formula> <weight>401.8</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">2026-04-05T13:08:00Z</created-at> <updated-at type="dateTime">2026-08-21T18:24:58Z</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>DB03496</drugbank-id> <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>CN1CC[C@@H]([C@H](O)C1)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=C(Cl)C=CC=C1</moldb-smiles> <moldb-formula>C21H20ClNO5</moldb-formula> <moldb-inchi>InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1</moldb-inchi> <moldb-inchikey>BIIVYFLTOXDAOV-YVEFUNNKSA-N</moldb-inchikey> <moldb-average-mass type="decimal">401.84</moldb-average-mass> <moldb-mono-mass type="decimal">401.1030004</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.09</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>CHEM102294</chemdb-id> <dsstox-id>DTXSID20904970</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00071644</susdat-id> <iupac>2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-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>Flavones</subklass> <paper-count type="integer">1082</paper-count> <sync-id>CED0008357</sync-id> <structure-inchikey>BIIVYFLTOXDAOV-YVEFUNNKSA-N</structure-inchikey> <structure-fingerprint>4000002000000000000100040040000000000000000010000000000000000000000000020000000008002000000000000000000000100000000000000000000000000400000000001000400000020800000000000000000001000008000000000110000000000400000100000000000020100000000020080c00000100000000040000000800000000000004000000020000100000000200000400000000000000004000000080000080000000000000000000000008000080200000000000000000000002900000000008000000010200000000000000200001000000000000000000000000040000000000000000080000000108000000000000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`������ 4������� 4��������`�������`������@(������@(������@(������@(������@h�������@(�������(������@(������@(�������h�������@h�������@(�������h�������@(������@(������� �����@h�������@h�������@h�������@h�������������������������������� h� h� �h���h�� h� �(� �h���h��� ��h���h��� �� ��h������h���h���h���h������h���h�� h�B������������ �� � ����� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:42:03Z</structure-indexed-at> </compound>