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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:amarogentin
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Accession:CHEBI:2622 term browser browse the term
Definition:A secoiridoid glycoside that consists of (4aS,5R,6R)-5-ethenyl-6-hydroxy-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one having a 2-O-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-D-glucopyranosyl group attached at position 6 via a glycosidic linkage.
Synonyms:exact_synonym: (4aR)-5t-ethenyl-6c-[O(2)-(3,5,3'-trihydroxybiphenyl-2-ylcarbonyl)-beta-D-glucopyranosyloxy]-4,4ar,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
 related_synonym: (4aS,5R,6S)-5-ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl- 2-O-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-D-glucopyranoside;   Formula=C29H30O13;   InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1;   InChIKey=DBOVHQOUSDWAPQ-WTONXPSSSA-N;   SMILES=[H][C@@]12CCOC(=O)C1=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)c1c(O)cc(O)cc1-c1cccc(O)c1)[C@@H]2C=C;   sweroside-2'-(3'',5'',3'''-trihydroxydiphenyl)-2''-carboxylic acid ester
 xref: CAS:21018-84-8;   KEGG:C09767;   KNApSAcK:C00003070
 xref_mesh: MESH:C102609
 xref: PMID:8720386;   Reaxys:74677;   Wikipedia:Amarogentin


show annotations for term's descendants           Sort by:
amarogentin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Casp3 caspase 3 multiple interactions ISO amarogentin inhibits the reaction [[9,10-Dimethyl-1,2-benzanthracene co-treated with Croton Oil] results in increased cleavage of and results in increased activity of CASP3 protein] CTD PMID:16517061 NCBI chr16:52,395,539...52,413,794
Ensembl chr16:52,395,540...52,413,732 		JBrowse link
G Cat catalase decreases activity ISO amarogentin results in decreased activity of CAT protein CTD PMID:15173996 NCBI chr 3:110,297,340...110,329,526
Ensembl chr 3:110,297,342...110,329,526 		JBrowse link
G Ptgs2 prostaglandin-endoperoxide synthase 2 multiple interactions ISO amarogentin inhibits the reaction [[9,10-Dimethyl-1,2-benzanthracene co-treated with Croton Oil] results in increased expression of PTGS2 protein] CTD PMID:16517061 NCBI chr13:64,714,063...64,722,320
Ensembl chr13:64,713,619...64,722,320 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      biological role 20818
        biochemical role 20264
          metabolite 20245
            amarogentin 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    p-block element atom 20781
                      carbon group element atom 20715
                        carbon atom 20710
                          organic molecular entity 20710
                            heteroorganic entity 20219
                              organochalcogen compound 19904
                                organooxygen compound 19806
                                  carbohydrates and carbohydrate derivatives 15487
                                    carbohydrate 15487
                                      carbohydrate derivative 14459
                                        glycosyl compound 13167
                                          glycoside 11941
                                            terpene glycoside 503
                                              secoiridoid glycoside 36
                                                amarogentin 3
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