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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:celastrol
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Accession:CHEBI:63959 term browser browse the term
Definition:A pentacyclic triterpenoid that is 24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid bearing an oxo substituent at position 2, a hydroxy substituent at position 3 and two methyl groups at positions 9 and 13. An antioxidant and anti-inflammatory agent. Potently inhibits lipid peroxidation in mitochondria and inhibits TNF-alpha-induced NFkappaB activation. Also shown to inhibit topoisomerase II activity in vitro (IC50 = 7.41 muM).
Synonyms:exact_synonym: (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
 related_synonym: (2R,4aS,6aS,12bR,14aS,14bR)-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-2-picenecarboxylic acid;   3-hydroxy-9beta,13alpha-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid;   D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, (20alpha)-;   Formula=C29H38O4;   InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1;   InChIKey=KQJSQWZMSAGSHN-JJWQIEBTSA-N;   SMILES=[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(O)=O;   Tripterine
 xref: CAS:34157-83-0;   HMDB:HMDB0002385
 xref_mesh: MESH:C050414
 xref: PMID:11809076;   PMID:15593077;   PMID:20934245;   PMID:20954803;   PMID:21134410;   PMID:21414301;   PMID:21425580;   PMID:21466843;   PMID:21569548;   PMID:21666907;   PMID:21850367;   PMID:21865725;   PMID:21866552;   PMID:22087583;   PMID:22206928;   PMID:22334592;   Patent:KR20100097843;   Patent:US2011263693;   Reaxys:2194425


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Path 1
Term Annotations click to browse term
  CHEBI ontology 499
    role 499
      chemical role 425
        antioxidant 43
          celastrol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    main group molecular entity 492
                      s-block molecular entity 437
                        hydrogen molecular entity 436
                          hydrides 365
                            organic hydride 71
                              organic fundamental parent 71
                                hydrocarbon 49
                                  terpene 20
                                    triterpene 2
                                      triterpenoid 2
                                        pentacyclic triterpenoid 0
                                          celastrol 0
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