<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 05:07:48 UTC</creation_date>
  <update_date>2026-08-20 02:16:55 UTC</update_date>
  <accession/>
  <common_name>(+)-Evodiamine</common_name>
  <class>SmallMolecule</class>
  <description>(+)-Evodiamine is an organoheterocyclic compound with the formula C19H17N3O1 and an average molecular weight of 303.40 g/mol. (+)-Evodiamine belongs to the pyridoindoles, a subclass of indoles and derivatives within the organic compounds. Regarding its health effects, the compound has a therapeutic effect on cancer (PMC10300961).</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(+)-Evodiamine</synonym>
    <synonym>(13bS)-14-Methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one</synonym>
    <synonym>(1S)-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one</synonym>
    <synonym>(S)-14-methyl-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one</synonym>
    <synonym>(S)-14-Methyl-8,13,13b,14-tetrahydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one</synonym>
    <synonym>(S)-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one</synonym>
    <synonym>8,13,13bS,14-tetrahydro-14-methyl-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one</synonym>
    <synonym>BB_NC-1930</synonym>
    <synonym>evodiamine S</synonym>
    <synonym>Evodiamine, Evodia rutaecarpa</synonym>
    <synonym>Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-</synonym>
    <synonym>Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (S)-</synonym>
    <synonym>Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-</synonym>
    <synonym>QA-1813</synonym>
    <synonym>UNII-C01825BVNL</synonym>
    <synonym>UNII:C01825BVNL</synonym>
    <synonym>[518-17-2]</synonym>
  </synonyms>
  <chemical_formula>C19H17N3O1</chemical_formula>
  <average_molecular_weight>303.4</average_molecular_weight>
  <monisotopic_moleculate_weight>303.137162</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>518-17-2</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1</inchi>
  <inchikey>TXDUTHBFYKGSAH-SFHVURJKSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>303.4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>303.137162</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C19H17N3O1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>TXDUTHBFYKGSAH-SFHVURJKSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72276315f0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>442088</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>133343</chemspider_id>
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</compound>
