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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:(-)-cubebin
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Accession:CHEBI:65684 term browser browse the term
Definition:A lignan that consists of tetrahydrofuran-2-ol substituted by two 1,3-benzodioxol-5-ylmethyl groups at positions 3 and 4 respectively (the 2S,3R,4R stereoisomer). It is isolated from the leaves of Piper nigrum and exhibits analgesic, anti-inflammatory, antimicrobial and trypanocidal activities.
Synonyms:exact_synonym: (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol
 related_synonym: (8R,8'R,9S)-cubebin;   3,4-bis(2H-1,3-benzodioxol-5-ylmethyl)oxolan-2-ol;   9-Hydroxy-3,4:3',4'-bis(methylenedioxy)-9,9'-epoxylignan;   Formula=C20H20O6;   InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1;   InChIKey=DIYWRNLYKJKHAM-MDOVXXIYSA-N;   SMILES=[H][C@@]1(CO[C@H](O)[C@]1([H])Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1;   beta-cubebin
 xref: CAS:18423-69-3;   HMDB:HMDB0030682;   KEGG:C10549;   KNApSAcK:C00002591;   PMID:15467205;   PMID:17053932;   PMID:17236178;   PMID:21385598;   PMID:21941916;   Patent:EP2517705;   Patent:JP2011098968;   Reaxys:6489121


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Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      biological role 19848
        antimicrobial agent 18250
          (-)-cubebin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            organic molecule 19706
                              organic cyclic compound 19495
                                organic heterocyclic compound 18874
                                  organic heteropolycyclic compound 18300
                                    organic heterobicyclic compound 17242
                                      benzodioxoles 8476
                                        (-)-cubebin 0
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