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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:lonchocarpenin
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Accession:CHEBI:6521 term browser browse the term
Definition:A hydroxycoumarin that is 2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one substituted by a hydroxy group at position 4, a methoxy group at position 5, 4-methoxyphenyl group at position 3 and two methyl groups at position 8 respectively.
Synonyms:exact_synonym: 4-hydroxy-5-methoxy-3-(4-methoxyphenyl)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one
 related_synonym: Formula=C27H28O6;   InChI=1S/C27H28O6/c1-15(2)7-12-18-23-19(13-14-27(3,4)33-23)24(31-6)21-22(28)20(26(29)32-25(18)21)16-8-10-17(30-5)11-9-16/h7-11,13-14,28H,12H2,1-6H3;   InChIKey=CCYKXDPVYWRNMH-UHFFFAOYSA-N;   SMILES=COc1ccc(cc1)-c1c(O)c2c(OC)c3C=CC(C)(C)Oc3c(CC=C(C)C)c2oc1=O
 xref: CAS:22263-56-5;   KEGG:C10491;   KNApSAcK:C00002543;   PMID:24079177;   PMID:24705564;   Reaxys:27068675


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19921
    role 19893
      biological role 19891
        antimicrobial agent 18273
          antimicrobial drug 11180
            antiprotozoal drug 7447
              lonchocarpenin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19865
                    p-block element atom 19865
                      carbon group element atom 19804
                        carbon atom 19801
                          organic molecular entity 19801
                            organic molecule 19754
                              organic cyclic compound 19544
                                organic heterocyclic compound 18909
                                  oxacycle 17905
                                    benzopyran 11977
                                      1-benzopyran 11731
                                        chromenes 4432
                                          chromenone 4376
                                            coumarins 4146
                                              hydroxycoumarin 356
                                                lonchocarpenin 0
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