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Term:ingenol mebutate
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Accession:CHEBI:66913 term browser browse the term
Definition:A tetracyclic diterpenoid ester obtained by formal condensation of the carboxy group of (2Z)-2-methylbut-2-enoic (angelic) acid with the 3-hydroxy group of ingenol. Used for the topical treatment of actinic keratosis.
Synonyms:exact_synonym: (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[E][10]annulen-6-yl (2Z)-2-methylbut-2-enoate
 related_synonym: 3-Angeloylingenol;   3-Ingenyl angelate;   Formula=C25H34O6;   InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16-,17-,18+,19-,21+,24+,25+/m1/s1;   InChIKey=VDJHFHXMUKFKET-UXMMOKKRSA-N;   Ingenol 3-angelate;   PEP-005;   Picato;   SMILES=[H][C@@]12C=C(CO)[C@@H](O)[C@]3(O)[C@@H](OC(=O)C(\\C)=C/C)C(C)=C[C@]3([C@H](C)C[C@]3([H])[C@@]1([H])C3(C)C)C2=O;   ingenoli mebutas;   mebutate d'ingenol;   mebutato de ingenol
 xref: CAS:75567-37-2;   KEGG:D09393;   PMID:19178487;   PMID:19467365;   PMID:20546215;   PMID:20725548;   PMID:21325841;   PMID:21375515;   PMID:21386954;   PMID:22055282;   PMID:22189786;   PMID:22202647;   PMID:22358305;   PMID:22417254;   PMID:22538622;   PMID:22618984;   PMID:22828167;   PMID:22956883;   Reaxys:6452385;   Wikipedia:Ingenol_mebutate

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Term Annotations click to browse term
  CHEBI ontology 19779
    role 19727
      application 19373
        pharmaceutical 19243
          drug 19243
            antineoplastic agent 16922
              ingenol mebutate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19779
    subatomic particle 19777
      composite particle 19777
        hadron 19777
          baryon 19777
            nucleon 19777
              atomic nucleus 19777
                atom 19777
                  main group element atom 19664
                    p-block element atom 19664
                      carbon group element atom 19559
                        carbon atom 19548
                          organic molecular entity 19548
                            organic group 18463
                              organic divalent group 18456
                                organodiyl group 18456
                                  carbonyl group 18356
                                    carbonyl compound 18356
                                      carboxylic acid 18027
                                        monocarboxylic acid 17287
                                          fatty acid 15828
                                            unsaturated fatty acid 909
                                              monounsaturated fatty acid 406
                                                butenoic acid 19
                                                  2-butenoic acid 19
                                                    isocrotonic acid 0
                                                      angelic acid 0
                                                        ingenol mebutate 0
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