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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:tubocapsanolide A
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Accession:CHEBI:66325 term browser browse the term
Definition:A withanolide that is 5beta,6beta:16alpha,17alpha-diepoxywitha-2,24-dienolide substituted by a hydroxy group at position 4 and an oxo group at position 1. Isolated from Tubocapsicum anomalum, it exhibits cytotoxic activity.
Synonyms:exact_synonym: (4beta,5beta,6beta,16alpha,17alpha)-17-{(1R)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-4-hydroxy-5,6:16,17-diepoxyandrost-2-en-1-one
 related_synonym: 5beta,6beta:16alpha,17alpha-diepoxy-4beta-hydroxy-1-oxo-witha-2,24-dienolide;   Formula=C28H36O6;   InChI=1S/C28H36O6/c1-13-10-19(32-24(31)14(13)2)15(3)27-23(33-27)12-18-16-11-22-28(34-22)21(30)7-6-20(29)26(28,5)17(16)8-9-25(18,27)4/h6-7,15-19,21-23,30H,8-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22-,23-,25+,26+,27-,28-/m1/s1;   InChIKey=RQGXOMVMGPVOQK-KAUDDYPASA-N;   SMILES=[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@@H](C)[C@@]12O[C@]1([H])C[C@@]1([H])[C@]3([H])C[C@@]4([H])O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]21C
 xref: PMID:17417907;   PMID:17513606;   PMID:19049961;   Reaxys:11130280


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Term Annotations click to browse term
  CHEBI ontology 19838
    role 19814
      biological role 19812
        inhibitor 18903
          NF-kappaB inhibitor 2305
            tubocapsanolide A 0
              20-hydroxytubocapsanolide A 0
              23-hydroxytubocapsanolide A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      carbon group element atom 19734
                        carbon atom 19731
                          organic molecular entity 19731
                            organic molecule 19684
                              organic cyclic compound 19496
                                organic heterocyclic compound 18874
                                  organic heteromonocyclic compound 17801
                                    saturated organic heteromonocyclic parent 11297
                                      oxirane 11277
                                        epoxide 11276
                                          epoxy steroid 144
                                            tubocapsanolide A 0
                                              20-hydroxytubocapsanolide A 0
                                              23-hydroxytubocapsanolide A 0
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