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ONTOLOGY REPORT - ANNOTATIONS


Term:tanghinin
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Accession:CHEBI:66192 term browser browse the term
Definition:A cardenolide glycoside that is tanghinigenin attached to a 2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl residue at position 3 via a glycosidc linkage. Isolated from Cerbera manghas, it exhibits cytotoxic activities against oral human epidermoid carcinoma (KB), human breast cancer cell (BC) and human small cells lung cancer.
Synonyms:exact_synonym: 3beta-[(2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxy-5beta,7beta-7,8-epoxycard-20(22)-enolide
 related_synonym: (3beta,5beta,7beta)-3-[(2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxy-7,8-epoxycard-20(22)-enolide;   3-((2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopranosyl)oxy)tanghinigenin;   3-beta-O-(2'-O-acetyl-alpha-L-thevetosyl)-14beta-hydroxy-7,8-epoxy-5beta-card-20(22)-enolide;   Formula=C32H46O10;   InChI=1S/C32H46O10/c1-16-25(35)26(37-5)27(40-17(2)33)28(39-16)41-20-6-9-29(3)19(13-20)14-23-32(42-23)22(29)8-10-30(4)21(7-11-31(30,32)36)18-12-24(34)38-15-18/h12,16,19-23,25-28,35-36H,6-11,13-15H2,1-5H3/t16-,19-,20-,21+,22+,23+,25-,26+,27-,28-,29-,30+,31+,32+/m0/s1;   InChIKey=BTRWTSHCXGFFFL-NNYOWCKQSA-N;   SMILES=C1[C@H](O[C@@]2(O[C@H]([C@@H]([C@H]([C@@H]2OC(C)=O)OC)O)C)[H])C[C@]3([H])[C@@](C1)(C)[C@]4(CC[C@@]5(C)[C@]([C@@]64[C@@H](O6)C3)(O)CC[C@@H]5C7=CC(=O)OC7)[H]
 xref: CAS:25390-16-3 "ChemIDplus";   Chemspider:16736053;   PMID:15305009 "Europe PMC";   PMID:2095717 "Europe PMC";   Reaxys:9890412 "Reaxys"


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  CHEBI ontology 829
    role 806
      biological role 806
        biochemical role 679
          metabolite 663
            tanghinin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 829
    subatomic particle 813
      composite particle 813
        hadron 813
          baryon 813
            nucleon 813
              atomic nucleus 813
                atom 813
                  main group element atom 801
                    p-block element atom 798
                      carbon group element atom 769
                        carbon atom 765
                          organic molecular entity 765
                            organic group 354
                              organic divalent group 352
                                organodiyl group 352
                                  carbonyl group 351
                                    carbonyl compound 351
                                      carboxylic ester 196
                                        lactone 138
                                          gamma-lactone 4
                                            butenolide 2
                                              cardenolides 2
                                                cardenolide glycoside 2
                                                  tanghinin 0
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