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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:caulophine
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Accession:CHEBI:65604 term browser browse the term
Definition:A member of the class of fluoren-9-ones that is 9H-fluoren-9-one substituted by 2-(dimethylamino)ethyl group at position 3, hydroxy groups at positions 4 and 5 and two methoxy groups at positions 1 and 6 respectively. It is isolated from the radix of Caulophyllum robustum and exhibits anti-myocardial ischemia activity.
Synonyms:exact_synonym: 3-[2-(dimethylamino)ethyl]-4,5-dihydroxy-1,6-dimethoxy-9H-fluoren-9-one
 related_synonym: Formula=C19H21NO5;   InChI=1S/C19H21NO5/c1-20(2)8-7-10-9-13(25-4)15-16(17(10)21)14-11(18(15)22)5-6-12(24-3)19(14)23/h5-6,9,21,23H,7-8H2,1-4H3;   InChIKey=NDCDKMMCPZJBEB-UHFFFAOYSA-N;   SMILES=COc1ccc2C(=O)c3c(OC)cc(CCN(C)C)c(O)c3-c2c1O
 xref: Chemspider:24750776;   PMID:19407969;   PMID:20004544;   PMID:20649558;   PMID:20724803;   PMID:20829129;   PMID:21259434


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Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      biological role 19842
        biochemical role 19549
          metabolite 19537
            caulophine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    main group molecular entity 19811
                      s-block molecular entity 19647
                        hydrogen molecular entity 19628
                          hydrides 19139
                            organic hydride 18687
                              organic fundamental parent 18687
                                hydrocarbon 18438
                                  cyclic hydrocarbon 17231
                                    arene 17212
                                      polycyclic arene 17037
                                        ortho-fused polycyclic arene 9836
                                          fluorene 557
                                            fluorenes 428
                                              fluoren-9-ones 4
                                                caulophine 0
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