17919 <common-name>Noscapine</common-name> <description nil="true"/> <cas>128-62-1</cas> <pubchem-id>275196</pubchem-id> <chemical-formula>C22H23NO7</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">2016-05-22T03:44:26Z</created-at> <updated-at type="dateTime">2026-05-14T18:18:17Z</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>DB06174</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>[H][C@@]1(OC(=O)C2=C1C=CC(OC)=C2OC)[C@]1([H])N(C)CCC2=CC3=C(OCO3)C(OC)=C12</moldb-smiles> <moldb-formula>C22H23NO7</moldb-formula> <moldb-inchi>InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1</moldb-inchi> <moldb-inchikey>AKNNEGZIBPJZJG-MSOLQXFVSA-N</moldb-inchikey> <moldb-average-mass type="decimal">413.4205</moldb-average-mass> <moldb-mono-mass type="decimal">413.147452095</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.58</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>242139</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>CHEM016814</chemdb-id> <dsstox-id>DTXSID4023385</dsstox-id> <toxcast-id>23385</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00117949</susdat-id> <iupac>(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one</iupac> <moldb-polar-surface-area>75.69000000000001</moldb-polar-surface-area> <moldb-refractivity>107.0761</moldb-refractivity> <moldb-polarizability>42.1875768582998</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>14.593243441303297</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>6.444144933804225</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>2.00</moldb-alogps-logp> <moldb-alogps-logs>-3.36</moldb-alogps-logs> <moldb-alogps-solubility>1.81e-01 g/l</moldb-alogps-solubility> </compound>