<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-31 20:58:35 UTC</creation_date>
  <update_date>2026-05-20 19:29:04 UTC</update_date>
  <accession/>
  <common_name>Chuangxinmycin</common_name>
  <class>SmallMolecule</class>
  <description>Chuangxinmycin is an organoheterocyclic compound with the formula C12H11N1O2S1 and an average molecular weight of 233.29 g/mol. Chuangxinmycin belongs to the indoles, a subclass of indoles and derivatives within the organic compounds. This substance is found in or released from healthcare, pharmaceuticals, and veterinary products, specifically antibiotics. Recorded exposure routes for the compound include inhalation and oral administration.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(-)-(4S,5R)-chuangxinmycin</synonym>
    <synonym>(-)-chuangxinmycin</synonym>
    <synonym>(2R,3S)-3-methyl-3,5-dihydro-2H-thiino[4,3,2-cd]indole-2-carboxylic acid</synonym>
    <synonym>(2R,3S)-3-Methyl-3,5-dihydro-2H-thiopyrano[4,3,2-cd]indole-2-carboxylic acid</synonym>
    <synonym>(4S,5R)-(-)-chuangxinmycin</synonym>
    <synonym>(R)-(S)-3-Methyl-3,5-dihydro-2H-thiopyrano[4,3,2-cd]indole-2-carboxylic acid</synonym>
    <synonym>2H-Thiopyrano(4,3,2-cd)indole-2-carboxylic acid, 3,5-dihydro-3-methyl-, cis-(-)-</synonym>
    <synonym>2H-Thiopyrano[4,3,2-cd]indole-2-carboxylic acid, 3,5-dihydro-3-methyl-, (2R,3S)-</synonym>
    <synonym>Chuanghsinmycin</synonym>
    <synonym>Chuangxinmycin</synonym>
    <synonym>cis-(-)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid</synonym>
  </synonyms>
  <chemical_formula>C12H11N1O2S1</chemical_formula>
  <average_molecular_weight>233.29</average_molecular_weight>
  <monisotopic_moleculate_weight>233.051049</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>63339-68-4</cas_registry_number>
  <smiles>C[C@@H]1[C@@H](SC2=CC=CC3=C2C1=CN3)C(O)=O</smiles>
  <inchi>InChI=1S/C12H11NO2S/c1-6-7-5-13-8-3-2-4-9(10(7)8)16-11(6)12(14)15/h2-6,11,13H,1H3,(H,14,15)/t6-,11+/m0/s1</inchi>
  <inchikey>DKHFLDXCKWDVMF-UPONEAKYSA-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/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>233.29</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>233.051049</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C[C@@H]1[C@@H](SC2=CC=CC3=C2C1=CN3)C(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H11N1O2S1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H11NO2S/c1-6-7-5-13-8-3-2-4-9(10(7)8)16-11(6)12(14)15/h2-6,11,13H,1H3,(H,14,15)/t6-,11+/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DKHFLDXCKWDVMF-UPONEAKYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226ba0b40&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>3037261</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>2301053</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
