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ONTOLOGY REPORT - ANNOTATIONS


Term:rocaglamide
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Accession:CHEBI:66309 term browser browse the term
Definition:An organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity.
Synonyms:exact_synonym: (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxamide
 related_synonym: (-)-(1alpha,2alpha,3beta,3abeta,8bbeta)-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-1H-cyclopenta(b)benzofuran-2-carboxamide;   Formula=C29H31NO7;   InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1;   InChIKey=DAPAQENNNINUPW-IDAMAFBJSA-N;   SMILES=COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C
 xref: CAS:84573-16-0 "ChemIDplus";   PMID:20685036 "Europe PMC";   PMID:20706274 "Europe PMC";   PMID:21417924 "Europe PMC";   PMID:22283818 "Europe PMC";   Patent:US2009082371;   Reaxys:4219080 "Reaxys"


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  CHEBI ontology 19612
    role 19555
      biological role 19553
        biochemical role 19070
          metabolite 19035
            rocaglamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19612
    subatomic particle 19608
      composite particle 19608
        hadron 19608
          baryon 19608
            nucleon 19608
              atomic nucleus 19608
                atom 19608
                  main group element atom 19487
                    p-block element atom 19487
                      carbon group element atom 19361
                        carbon atom 19353
                          organic molecular entity 19353
                            organic group 18312
                              organic divalent group 18302
                                organodiyl group 18302
                                  carbonyl group 18187
                                    carbonyl compound 18187
                                      carboxylic acid 17852
                                        carboacyl group 16940
                                          univalent carboacyl group 16940
                                            carbamoyl group 16620
                                              carboxamide 16620
                                                monocarboxylic acid amide 13184
                                                  rocaglamide 0
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