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ONTOLOGY REPORT - ANNOTATIONS


Term:chanoclavine-I
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Accession:CHEBI:3576 term browser browse the term
Definition:An organic tricyclic compound that is 1,3,4,5-tetrahydrobenzo[cd]indole which is substituted at position 4 by a methylamino group and at position 5 by a 3-hydroxy-2-methylprop-1-en-1-yl group (the 4R,5R,E diastereoisomer). It is a precursor of the tetracyclic ergolines agroclavine, elymoclavine and lysergic acid amide.
Synonyms:exact_synonym: (2E)-2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol
 related_synonym: Formula=C16H20N2O;   InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15-/m1/s1;   InChIKey=SAHHMCVYMGARBT-HEESEWQSSA-N;   SMILES=CN[C@@H]1Cc2c[nH]c3cccc([C@H]1\\C=C(/C)CO)c23;   chanoclavin-I;   chanoclavine
 xref: CAS:2390-99-0 "ChemIDplus";   CAS:2390-99-0 "KEGG COMPOUND";   KEGG:C09131;   KNApSAcK:C00001707;   MetaCyc:CPD-12356;   PMID:20039019 "Europe PMC";   PMID:20102147 "Europe PMC";   PMID:20118373 "Europe PMC";   PMID:20435769 "Europe PMC";   PMID:447932 "Europe PMC";   PMID:5588727 "Europe PMC";   Reaxys:28050 "Reaxys"
 cyclic_relationship: is_conjugate_base_of CHEBI:72949


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Term Annotations click to browse term
  CHEBI ontology 19716
    role 19663
      application 19308
        refrigerant 17091
          ammonia 16690
            organic amino compound 16689
              secondary amino compound 6375
                chanoclavine-I 0
                  chanoclavine-I aldehyde 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    p-block element atom 19598
                      carbon group element atom 19486
                        carbon atom 19480
                          organic molecular entity 19480
                            organic group 18407
                              cyclic organic group 1824
                                organic heterobicyclic ring 1824
                                  indole skeleton 1824
                                    indole alkaloid 1824
                                      terpenoid indole alkaloid 1462
                                        hemiterpenoid indole alkaloid 24
                                          ergot alkaloid 24
                                            chanoclavine-I 0
                                              chanoclavine-I aldehyde 0
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