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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:azadiradione
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Accession:CHEBI:67280 term browser browse the term
Definition:A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by oxo groups at positions 3 and 16, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antimycobacterial and anti-inflammatory activities.
Synonyms:exact_synonym: (5alpha,7alpha,13alpha,17alpha)-17-(furan-3-yl)-4,4,8-trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl acetate
 related_synonym: 24-Nor-5alpha,13alpha,17alpha-chola-1,14,20,22-tetraene-3,16-dione, 21,23-epoxy-7alpha-hydroxy-4,4,8-trimethyl-,acetate;   Formula=C28H34O5;   InChI=1S/C28H34O5/c1-16(29)33-23-14-20-25(2,3)22(31)8-11-26(20,4)19-7-10-27(5)21(28(19,23)6)13-18(30)24(27)17-9-12-32-15-17/h8-9,11-13,15,19-20,23-24H,7,10,14H2,1-6H3/t19-,20+,23-,24-,26-,27-,28-/m1/s1;   InChIKey=KWAMDQVQFVBEAU-HMWIRDDCSA-N;   SMILES=CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)C=C3[C@]12C)c1ccoc1
 xref: CAS:26241-51-0
 xref_mesh: MESH:C479321
 xref: PMID:12713364;   PMID:1593280;   PMID:18617378;   PMID:19475987;   PMID:22928548;   Reaxys:5858436

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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        anti-inflammatory agent 0
          azadiradione 0
            15-hydroxyazadiradione 0
            17-hydroxyazadiradione 0
            desfuranoazadiradione 0
            epoxyazadiradione + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      cyclic ketone 0
                                        alicyclic ketone 0
                                          cyclic terpene ketone 0
                                            azadiradione 0
                                              15-hydroxyazadiradione 0
                                              17-hydroxyazadiradione 0
                                              desfuranoazadiradione 0
                                              epoxyazadiradione + 0
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