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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:20-hydroxytubocapsanolide A
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Accession:CHEBI:66326 term browser browse the term
Definition:A withanolide that is the 20-hydroxy derivative of tubocapsanolide A. Isolated from Tubocapsicum anomalum, it exhibits cytotoxic activity.
Synonyms:exact_synonym: (4beta,5beta,6beta,16alpha,17alpha)-17-{(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-hydroxyethyl}-4-hydroxy-5,6:16,17-diepoxyandrost-2-en-1-one
 related_synonym: 5beta,6beta:16alpha,17alpha-diepoxy-4beta,20-dihydroxy-1-oxo-witha-2,24-dienolide;   Formula=C28H36O7;   InChI=1S/C28H36O7/c1-13-10-20(33-23(31)14(13)2)26(5,32)28-22(35-28)12-17-15-11-21-27(34-21)19(30)7-6-18(29)25(27,4)16(15)8-9-24(17,28)3/h6-7,15-17,19-22,30,32H,8-12H2,1-5H3/t15-,16+,17+,19+,20-,21-,22-,24+,25+,26+,27-,28-/m1/s1;   InChIKey=ONOYEGAYNUISOH-QTRSZHGFSA-N;   SMILES=CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]21C
 xref: PMID:17417907;   Reaxys:11130281



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Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      application 19653
        pharmaceutical 19492
          drug 19492
            antineoplastic agent 17735
              20-hydroxytubocapsanolide A 0
Path 2
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  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic group 18947
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18879
                                    carbonyl compound 18879
                                      carboxylic ester 16481
                                        lactone 12523
                                          steroid lactone 466
                                            withanolide 79
                                              tubocapsanolide A 0
                                                20-hydroxytubocapsanolide A 0
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