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celastrol - Ontology Report - Rat Genome Database

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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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  CHEBI ontology 5213
    role 5180
      chemical role 938
        antioxidant 418
          celastrol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5213
    subatomic particle 5203
      composite particle 5203
        hadron 5203
          baryon 5203
            nucleon 5203
              atomic nucleus 5203
                atom 5203
                  main group element atom 5176
                    main group molecular entity 5175
                      s-block molecular entity 5111
                        hydrogen molecular entity 5105
                          hydrides 4698
                            organic hydride 4546
                              organic fundamental parent 4546
                                hydrocarbon 4508
                                  terpene 4442
                                    triterpene 38
                                      triterpenoid 38
                                        pentacyclic triterpenoid 29
                                          celastrol 0
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