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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:maackiapterocarpan A
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Accession:CHEBI:66645 term browser browse the term
Definition:A member of the class of pterocarpans that is pterocarpan substituted by a hydroxy group at position 3, a methylenedioxy group across positions 8 and 9 and a 2,2-dimethyltetrahydro-2H-pyran ring fused across positions 1 and 2 (the 8aR,14aR stereoisomer). Isolated from the stem barks of Maackia amurensis,it exhibits cytotoxicity against human cancer cell lines.
Synonyms:exact_synonym: (8aR,14aR)-3,3-dimethyl-1,2,3,8,8a,14a-hexahydro[1,3]dioxolo[5,6][1]benzofuro[3,2-c]pyrano[3,2-f]chromen-5-ol
 related_synonym: 3-hydroxy-8,9-methylenedioxy-[2',2'-dimethyl-3',4'-dihydropyrano-(5',6' : 1,2)][6aR,11aR]-pterocarpan;   Formula=C21H20O6;   InChI=1S/C21H20O6/c1-21(2)4-3-10-18-17(6-13(22)19(10)27-21)23-8-12-11-5-15-16(25-9-24-15)7-14(11)26-20(12)18/h5-7,12,20,22H,3-4,8-9H2,1-2H3/t12-,20+/m0/s1;   InChIKey=XVIZOEGEWDVLRY-FKIZINRSSA-N;   SMILES=[H][C@@]12COc3cc(O)c4OC(C)(C)CCc4c3[C@]1([H])Oc1cc3OCOc3cc21
 xref: PMID:19252325;   Patent:CN101434592;   Reaxys:19598945


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Term Annotations click to browse term
  CHEBI ontology 5053
    role 5018
      application 865
        pharmaceutical 716
          drug 716
            antineoplastic agent 183
              maackiapterocarpan A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5053
    subatomic particle 5044
      composite particle 5044
        hadron 5044
          baryon 5044
            nucleon 5044
              atomic nucleus 5044
                atom 5044
                  main group element atom 5015
                    p-block element atom 5012
                      carbon group element atom 4929
                        carbon atom 4928
                          organic molecular entity 4928
                            organic molecule 4876
                              organic cyclic compound 4815
                                organic heterocyclic compound 4605
                                  organic heteropolycyclic compound 4405
                                    benzofurochromene 0
                                      pterocarpans 0
                                        maackiapterocarpan A 0
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