<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4135</id>
  <title>T3D4081</title>
  <common-name>Matrine</common-name>
  <description>Matrine is an alkaloid found in plants from the Sophora genus. It has a variety of pharmacological effects, including anti-cancer effects, and action as a kappa opioid receptor and  &amp;#956;-receptor agonist.</description>
  <cas>519-02-8</cas>
  <pubchem-id>91466</pubchem-id>
  <chemical-formula>C15H24N2O</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>The nervous system is the main target organ by the toxicity of matrine. Morphological observation revealed degenerative changes of the nerve cells in the brain tissue of the mice. (A15436) Matrine has a variety of pharmacological effects, including anti-cancer effects, and action as a kappa opioid receptor and µ-receptor agonist. Matrine possesses strong antitumor activities in vitro and in vivo. Inhibition of cell proliferation and induction of apoptosis are the likely mechanisms responsible for matrine's antitumor activities. (Wikipedia)</mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Matrine is an alkaloid found in plants from the Sophora genus.</use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-08-29T05:04:05Z</created-at>
  <updated-at type="dateTime">2026-04-05T10:23:56Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C10774</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H][C@]12CCCN3CCC[C@]([H])([C@@]4([H])CCCC(=O)N4C1)[C@]23[H]</moldb-smiles>
  <moldb-formula>C15H24N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1</moldb-inchi>
  <moldb-inchikey>ZSBXGIUJOOQZMP-JLNYLFASSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">248.3639</moldb-average-mass>
  <moldb-mono-mass type="decimal">248.1888634</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL204860</chembl-id>
  <chemspider-id>82591</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003041</chemdb-id>
  <dsstox-id>DTXSID00274188</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00066991</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>23.55</moldb-polar-surface-area>
  <moldb-refractivity>71.4485</moldb-refractivity>
  <moldb-polarizability>28.688682598674603</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>9.75220211509645</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>1.92</moldb-alogps-logp>
  <moldb-alogps-logs>-1.60</moldb-alogps-logs>
  <moldb-alogps-solubility>6.24e+00 g/l</moldb-alogps-solubility>
</compound>
