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ONTOLOGY REPORT - ANNOTATIONS


Term:yanuthone X2
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Accession:CHEBI:133037 term browser browse the term
Definition:A class II yanuthone that is 5,6-epoxy-cyclohex-2-en-1-one which is substituted at positions 3, 4, and 6 by methoxy, hydroxy, and trans,trans-farnesyl groups, respectively (the 4S,5R,6R stereoisomer). Isolated from the filamentous fungus Aspergillus niger, it shows antifungal activity towards the pathogenic yeast Candida albicans (IC50 = 51.7 +-4.7 muM).
Synonyms:exact_synonym: (1R,5S,6R)-5-hydroxy-4-methoxy-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
 related_synonym: Formula=C22H32O4;   InChI=1S/C22H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-22-19(23)14-18(25-5)20(24)21(22)26-22/h8,10,12,14,20-21,24H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+/t20-,21-,22+/m1/s1;   InChIKey=URXBIEAAUGXNIJ-ITGDQCKOSA-N;   SMILES=C/C(=C\\CC\\C(\\C)=C\\C[C@]12C(C=C([C@H]([C@H]1O2)O)OC)=O)/CCC=C(C)C
 xref: PMID:25293978 "SUBMITTER"


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  CHEBI ontology 19679
    role 19623
      biological role 19621
        antimicrobial agent 17158
          antifungal agent 14603
            yanuthone X2 0
              yanuthone X1 0
Path 2
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  CHEBI ontology 19679
    subatomic particle 19675
      composite particle 19675
        hadron 19675
          baryon 19675
            nucleon 19675
              atomic nucleus 19675
                atom 19675
                  main group element atom 19555
                    p-block element atom 19555
                      carbon group element atom 19438
                        carbon atom 19430
                          organic molecular entity 19430
                            organic group 18351
                              organic divalent group 18340
                                organodiyl group 18340
                                  carbonyl group 18225
                                    carbonyl compound 18225
                                      ketone 15788
                                        cyclic ketone 13097
                                          alicyclic ketone 1042
                                            cyclohexenones 2
                                              yanuthones 0
                                                class II yanuthone 0
                                                  yanuthone X2 0
                                                    yanuthone X1 0
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