95931 <common-name>6'-(Cyclohexylamino)-2'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one</common-name> <description>6'-(Cyclohexylamino)-2'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This organoheterocyclic compound has the chemical formula C27H25NO3 and an average molecular weight of 411.50 g/mol.</description> <cas>35933-93-8</cas> <pubchem-id>169735</pubchem-id> <chemical-formula>C27H25NO3</chemical-formula> <weight>411.5</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">2026-04-05T03:50:27Z</created-at> <updated-at type="dateTime">2026-08-31T09:38:46Z</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>CC1=CC2=C(OC3=C(C=CC(NC4CCCCC4)=C3)C22OC(=O)C3=C2C=CC=C3)C=C1</moldb-smiles> <moldb-formula>C27H25NO3</moldb-formula> <moldb-inchi>InChI=1/C27H25NO3/c1-17-11-14-24-23(15-17)27(21-10-6-5-9-20(21)26(29)31-27)22-13-12-19(16-25(22)30-24)28-18-7-3-2-4-8-18/h5-6,9-16,18,28H,2-4,7-8H2,1H3</moldb-inchi> <moldb-inchikey>OJMMRJXMDLNRFW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">411.501</moldb-average-mass> <moldb-mono-mass type="decimal">411.1834437</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.3</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>CHEM091824</chemdb-id> <dsstox-id>DTXSID20885639</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00057960</susdat-id> <iupac>6'-(cyclohexylamino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-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>Organoheterocyclic compounds</superklass> <klass>Benzopyrans</klass> <subklass>1-benzopyrans</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0160094</sync-id> <structure-inchikey>OJMMRJXMDLNRFW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000008080000000001000000000400000100000000001000000000000000200020000000008000000000000000000800000000000000000000000000000000000000000000000000000020800000000000000000000000000000000000000000000010000000104020000000020080000000080080000004110810000048000000800000000000010080000000000100000040000000000000200000000004000000000000080000000000000000000800000020000000000010000000000004000000000020000000000000000000002000200200000001000000200100000000008040008000400000000000000000080000000000000000</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������������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">2026-09-19T04:36:42Z</structure-indexed-at> </compound>