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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:withalongolide B
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Accession:CHEBI:69107 term browser browse the term
Definition:A withanolide that is 27-deoxywithaferin A substituted by a hydroxy group at position 19. Isolated from Physalis longifolia, it exhibits antineoplastic activity.
Synonyms:exact_synonym: (4beta,5beta,6beta,22R)-4,19-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
 related_synonym: Formula=C28H38O6;   InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1;   InChIKey=OZBFGYQTKGOIKC-NSYRIIBJSA-N;   SMILES=C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(C)C(=O)O1
 xref: PMID:22098611;   Reaxys:22217707


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Path 1
Term Annotations click to browse term
  CHEBI ontology 24387
    role 24297
      application 23791
        pharmaceutical 23351
          drug 23351
            antineoplastic agent 19131
              withalongolide B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24387
    subatomic particle 24344
      composite particle 24344
        hadron 24344
          baryon 24344
            nucleon 24344
              atomic nucleus 24344
                atom 24344
                  main group element atom 24191
                    p-block element atom 24191
                      carbon group element atom 23974
                        carbon atom 23934
                          organic molecular entity 23934
                            organic group 22220
                              organic divalent group 22194
                                organodiyl group 22194
                                  carbonyl group 22177
                                    carbonyl compound 22177
                                      carboxylic ester 15267
                                        lactone 6206
                                          steroid lactone 403
                                            withanolide 46
                                              withaferin A 46
                                                withalongolide B 0
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