46302 <common-name>hydrastinine</common-name> <description>Hydrastinine belongs to the tetrahydroisoquinolines, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C11H13NO3 and an average molecular weight of 207.23 g/mol.</description> <cas>6592-85-4</cas> <pubchem-id>3638</pubchem-id> <chemical-formula>C11H13NO3</chemical-formula> <weight>207.23</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">2016-06-03T12:55:40Z</created-at> <updated-at type="dateTime">2026-08-18T09:45:20Z</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>DB19359</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>CN1CCC2=CC3=C(OCO3)C=C2C1O</moldb-smiles> <moldb-formula>C11H13NO3</moldb-formula> <moldb-inchi>InChI=1S/C11H13NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h4-5,11,13H,2-3,6H2,1H3</moldb-inchi> <moldb-inchikey>YOJQZPVUNUQTDF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">207.229</moldb-average-mass> <moldb-mono-mass type="decimal">207.089543283</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>3512</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>CHEM045197</chemdb-id> <dsstox-id>DTXSID3048073</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>UBA</stoff-ident-origin> <stoff-ident-id>SI00007481</stoff-ident-id> <susdat-id>NS00005375</susdat-id> <iupac>6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol</iupac> <moldb-polar-surface-area>41.93000000000001</moldb-polar-surface-area> <moldb-refractivity>54.70710000000001</moldb-refractivity> <moldb-polarizability>21.55107707142116</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>12.788272886238545</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>6.092611733288772</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>0.62</moldb-alogps-logp> <moldb-alogps-logs>-0.74</moldb-alogps-logs> <moldb-alogps-solubility>3.76e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Tetrahydroisoquinolines</klass> <subklass nil="true"/> <paper-count type="integer">98</paper-count> <sync-id>CED0019128</sync-id> <structure-inchikey>YOJQZPVUNUQTDF-UHFFFAOYSA-N</structure-inchikey> 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<structure-indexed-at type="dateTime">2026-09-19T04:13:22Z</structure-indexed-at> </compound>