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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:scutianthraquinone A
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Accession:CHEBI:66453 term browser browse the term
Definition:A member of the class of hydroxyanthraquinones isolated from the bark of Scutia myrtina. It has been shown to exhibit antiproliferative and antimalarial activities.
Synonyms:exact_synonym: dimethyl 1,2',5',6-tetrahydroxy-4',8-dimethyl-9'-[(2-methylbutanoyl)oxy]-9,10,10'-trioxo-9,9',10,10'-tetrahydro-2,9'-bianthracene-3',7-dicarboxylate
 related_synonym: Formula=C39H32O13;   InChI=1S/C39H32O13/c1-7-15(2)36(47)52-39(20-9-8-10-23(40)31(20)35(46)27-17(4)29(38(49)51-6)25(42)14-22(27)39)21-12-11-18-30(33(21)44)34(45)26-16(3)28(37(48)50-5)24(41)13-19(26)32(18)43/h8-15,40-42,44H,7H2,1-6H3;   InChIKey=LUBCWELSQUOSLN-UHFFFAOYSA-N;   SMILES=CCC(C)C(=O)OC1(c2ccc3C(=O)c4cc(O)c(C(=O)OC)c(C)c4C(=O)c3c2O)c2cccc(O)c2C(=O)c2c(C)c(C(=O)OC)c(O)cc12
 xref: CAS:1160579-07-6;   PMID:19282186;   Reaxys:19363282


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Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      biological role 5016
        biochemical role 4938
          metabolite 4926
            scutianthraquinone A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbonyl compound 4643
                                    ketone 4347
                                      cyclic ketone 4333
                                        quinone 19
                                          acenoquinone 7
                                            anthraquinone 0
                                              hydroxyanthraquinones 0
                                                dihydroxyanthraquinone 0
                                                  scutianthraquinone A 0
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