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Term:integrastatin B
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Accession:CHEBI:66080 term browser browse the term
Definition:An organic heterotetracyclic compound that is 11,12-dihydro-6H-6,12-epoxydibenzo[b,f]oxocine substituted by hydroxy groups at positions 4, 7 and 8, methoxy groups at positions 3 and 9, methyl groups at positions 6 and 12, an oxo group at position 11 and a formyl group at position 1. It is isolated as a racemate from Ascochyta and exhibits inhibitory activity against HIV-1 integrase.
Synonyms:exact_synonym: 4,7,8-trihydroxy-3,9-dimethoxy-6,12-dimethyl-11-oxo-11,12-dihydro-6H-6,12-epoxydibenzo[b,f]oxocine-1-carbaldehyde
 related_synonym: Formula=C20H18O9;   InChI=1S/C20H18O9/c1-19-12-8(7-21)5-10(26-3)15(23)17(12)28-20(2,29-19)13-9(18(19)25)6-11(27-4)14(22)16(13)24/h5-7,22-24H,1-4H3;   InChIKey=PECRJLBPKXQZDC-UHFFFAOYSA-N;   SMILES=COc1cc2C(=O)C3(C)OC(C)(Oc4c(O)c(OC)cc(C=O)c34)c2c(O)c1O;   rac-4,7,8-trihydroxy-3,9-dimethoxy-6,12-dimethyl-11-oxo-11,12-dihydro-6H-6,12-epoxydibenzo[b,f]oxocine-1-carbaldehyde
 xref: CAS:324518-09-4 "ChemIDplus";   Reaxys:9163563 "Reaxys"

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  CHEBI ontology 19669
    role 19613
      biological role 19611
        biochemical role 19138
          metabolite 19106
            integrastatin B 0
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  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic group 18343
                              organic divalent group 18334
                                organodiyl group 18334
                                  carbonyl group 18222
                                    carbonyl compound 18222
                                      carboxylic acid 17923
                                        carboacyl group 16943
                                          univalent carboacyl group 16943
                                            formyl group 7679
                                              aldehyde 7679
                                                integrastatin B 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.